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Bamipine

PubChem CID: 72075

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Compound Synonyms Bamipine, 4945-47-5, Piperamine, bamipin, Bamipina, N-benzyl-1-methyl-N-phenylpiperidin-4-amine, Soventol, Bamipinum, Tamidrine, Bamipinum [INN-Latin], Bamipina [INN-Spanish], Bamipine [INN:BAN:DCF], 4-(N-Benzylanilino)-1-methylpiperidine, Piperidine, 4-(N-benzyl-N-phenylamino)-1-methyl-, EINECS 225-587-2, UNII-Y6BHZ28O92, Bamipine (INN), 4-(N-Benzyl-N-phenylamino)-1-methylpiperidine, BRN 0252193, Y6BHZ28O92, DTXSID5057751, BAMIPINE [INN], BAMIPINE [MI], BAMIPINE [MART.], BAMIPINE [WHO-DD], 1-Methyl-N-phenyl-N-(phenylmethyl)-4-piperidinamine, 4-Piperidinamine, 1-methyl-N-phenyl-N-(phenylmethyl)-, N-Phenyl-N-benzyl-4-amino-1-methyl-piperidin [German], bamipine monohydrochloride, DTXCID6031540, N-Phenyl-N-benzyl-4-amino-1-methyl-piperidin, 5-22-08-00036 (Beilstein Handbook Reference), Bamipinum (INN-Latin), Bamipina (INN-Spanish), Soventol (TN), BAMIPINE (MART.), N-Phenyl-N-benzyl-4-amino-1-methyl-piperidine, SCHEMBL29626, CHEMBL520400, D04AA15, R06AX01, CHEBI:135165, Tox21_113882, AB8207, MFCD00797515, AKOS015960825, DB13489, NCGC00253769-01, AS-44879, CAS-4945-47-5, NS00004206, D07197, N-Benzyl-1-methyl-N-phenyl-4-piperidinamine #, Q4853502, 225-587-2
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 6.5
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CC(C2CCCCC2)C2CCCCC2)CC1
Deep Smiles CNCCCCC6))Ncccccc6))))))Ccccccc6
Heavy Atom Count 21.0
Classyfire Class Benzene and substituted derivatives
Scaffold Graph Node Level C1CCC(CN(C2CCCCC2)C2CCNCC2)CC1
Classyfire Subclass Phenylmethylamines
Isotope Atom Count 0.0
Molecular Complexity 284.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P31389, Q16236, P05412
Iupac Name N-benzyl-1-methyl-N-phenylpiperidin-4-amine
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 4.1
Gsk 4 400 Rule True
Molecular Formula C19H24N2
Scaffold Graph Node Bond Level c1ccc(CN(c2ccccc2)C2CCNCC2)cc1
Prediction Swissadme 0.0
Inchi Key VZSXTYKGYWISGQ-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.3684210526315789
Logs -3.309
Rotatable Bond Count 4.0
Logd 3.658
Synonyms piperamine
Esol Class Moderately soluble
Functional Groups CN(C)C, cN(C)C
Compound Name Bamipine
Prediction Hob Swissadme 0.0
Exact Mass 280.194
Formal Charge 0.0
Monoisotopic Mass 280.194
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 280.4
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
Esol -4.3393301428571425
Inchi InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
Smiles CN1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=CC=C3
Nring 3.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True

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