Piperidine, 1-(1-cyclohexen-1-yl)-
PubChem CID: 18118
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| Compound Synonyms | 2981-10-4, 1-(1-piperidino)cyclohexene, 1-(Cyclohex-1-en-1-yl)piperidine, 1-(cyclohexen-1-yl)piperidine, 1-(1-Cyclohexen-1-yl)piperidine, 1-(1-Cyclohexenyl)piperidine, PIPERIDINE, 1-(1-CYCLOHEXEN-1-YL)-, 1-Piperidino-1-cyclohexene, Cyclohexenylpiperidine, N-(1-Cyclohexenyl)piperidine, 1-Piperidinocyclohexene, BRN 0113990, 1-Piperidinylcyclohexene, N-(1-Cyclohexen-1-yl)piperidine, 1-(Cyclohex-1-enyl)piperidine, 56361-81-0, 5-20-02-00048 (Beilstein Handbook Reference), 1-(1-Piperidinyl)cyclohexene, Piperidine, 1-(cyclohexenyl)-, 1-Piperidine, 1-(cyclohexenyl)-, MFCD00014643, 1-cyclohexenylpiperidine, 1-Cyclohexen-1-ylpiperidine, 1-Cyclohex-1-enyl-piperidine, SCHEMBL497507, DTXSID70952249, KPVMGWQGPJULFL-UHFFFAOYSA-N, 1-(1-Piperidinyl)cyclohex-1-ene, EV49787M4Y, AKOS015897876, SB41090, AS-40164, CS-0450683, NS00113779, 622-974-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | Quinolizidine alkaloids |
| Deep Smiles | CCCNCC6))C=CCCCC6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCC(N2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(cyclohexen-1-yl)piperidine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H19N |
| Scaffold Graph Node Bond Level | C1=C(N2CCCCC2)CCCC1 |
| Inchi Key | KPVMGWQGPJULFL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | n-(1-cyclohexen-1-yl)piperidine |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)N(C)C |
| Compound Name | Piperidine, 1-(1-cyclohexen-1-yl)- |
| Exact Mass | 165.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.152 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 165.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2 |
| Smiles | C1CCN(CC1)C2=CCCCC2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678