(3S,5S)-5-(3,3-diphenylpiperidine-1-carbonyl)-1-methylpyrrolidin-3-amine

• ChemBase ID: 559465
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: N1(C(=O)[C@H]2N(C[C@H](C2)N)C)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: N[C@@H]1CN([C@@H](C1)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C23H29N3O/c1-25-16-20(24)15-21(25)22(27)26-14-8-13-23(17-26,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17,24H2,1H3/t20-,21-/m0/s1
• InChIKey: OJTIIKJFKMREEN-SFTDATJTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,5S)-5-(3,3-diphenylpiperidine-1-carbonyl)-1-methylpyrrolidin-3-amine
• IUPAC Traditional name: (3S,5S)-5-(3,3-diphenylpiperidine-1-carbonyl)-1-methylpyrrolidin-3-amine
• Synonyms: (3S,5S)-5-[(3,3-diphenylpiperidin-1-yl)carbonyl]-1-methylpyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6861286
• LogD (pH = 7.4): 0.58491963
• Log P: 2.5326843
• Molar Refractivity: 119.6461 cm^3
• Polarizability: 43.01672 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.95
• LOG S: -4.0
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 3