N-[(1-benzylpiperidin-3-yl)methyl]cyclopentanamine

• ChemBase ID: 387323
• Molecular Formular: C18H28N2
• Molecular Mass: 272.42832
• Monoisotopic Mass: 272.22524891
• SMILES: N1(CC(CNC2CCCC2)CCC1)Cc1ccccc1
• Canonical SMILES: C1CCC(C1)NCC1CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C18H28N2/c1-2-7-16(8-3-1)14-20-12-6-9-17(15-20)13-19-18-10-4-5-11-18/h1-3,7-8,17-19H,4-6,9-15H2
• InChIKey: BPQQCPKAIZBHNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpiperidin-3-yl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(1-benzylpiperidin-3-yl)methyl]cyclopentanamine
• Synonyms: N-[(1-benzylpiperidin-3-yl)methyl]cyclopentanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2062867
• LogD (pH = 7.4): -0.29224882
• Log P: 3.41526
• Molar Refractivity: 85.8895 cm^3
• Polarizability: 34.09175 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.42
• LOG S: -3.1
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5