N-Formylpiperidine
PubChem CID: 17429
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| Compound Synonyms | N-Formylpiperidine, 2591-86-8, piperidine-1-carbaldehyde, 1-Formylpiperidine, 1-Piperidinecarboxaldehyde, Formylpiperidine, Piperidinoformamide, N-Formylpiperidin, Piperidine-N-carbaldehyde, PIPERIDINE, 1-FORMYL-, 1-Piperidinecarbaldehyde, N-Piperidinecarboxaldehyde, Piperidine-1-carboxaldehyde, N-Formylpiperidin [German], N-Carbaldehyde piperidine, ZIQ29H6CZG, NSC 1066, EINECS 219-986-0, 1-formyl-piperidine, NSC 404158, DTXSID8043941, FORMYLPIPERIDIDE, AI3-15238, NSC-1066, MFCD00006483, NSC-404158, DTXCID6023941, WLN: T6NTJ AVH, N-Formylpiperidin (german), FPI, N-Formyl piperdine, 1-Formyl piperidine, UNII-ZIQ29H6CZG, n-formylpiperdine, Formyl piperidine, N- formylpiperidine, N-formyl piperidine, N-formyl-piperidine, piperidinecarboxaldehyde, 1-Formylpiperidine, 99%, 1-Piperidinecarbaldehyde #, SCHEMBL2638, CHEMBL1232817, NSC1066, CHEBI:193610, BCP20086, Tox21_302107, NSC404158, AKOS000297086, CS-W016610, DB04113, SB42936, NCGC00255934-01, PS-11953, CAS-2591-86-8, DB-004071, F0234, NS00003291, D77795, EN300-133690, A833967, Q6951369, F1984-0370, Z1255415437, InChI=1/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | O=CNCCCCC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Piperidines |
| Description | Present in pepper. 1-Piperidinecarboxaldehyde is found in herbs and spices and pepper (spice). |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00326 |
| Iupac Name | piperidine-1-carbaldehyde |
| Class | Piperidines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.0 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H11NO |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | FEWLNYSYJNLUOO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | 1-Formyl-piperidine, 1-Formylpiperidine, 1-Piperidinecarbaldehyde, Formylpiperidine, FPI, N-formylpiperidin, N-formylpiperidin (german), N-Formylpiperidine, NFP, piperidine-1-carbaldehyde, Piperidine-1-carboxaldehyde, Piperidine-n-carbaldehyde, Piperidine, 1-formyl-, Piperidinoformamide, N-Formylpiperidin, Piperidine-1-carbaldehyde, Piperidine-N-carbaldehyde, 1-formylpiperidine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C=O |
| Compound Name | N-Formylpiperidine |
| Kingdom | Organic compounds |
| Exact Mass | 113.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 113.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 113.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2 |
| Smiles | C1CCN(CC1)C=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Piperidines |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all