[(1-{[2-(cyclopentyloxy)phenyl]methyl}piperidin-3-yl)methyl](methyl)amine

• ChemBase ID: 392412
• Molecular Formular: C19H30N2O
• Molecular Mass: 302.4543
• Monoisotopic Mass: 302.23581359
• SMILES: N1(Cc2c(OC3CCCC3)cccc2)CC(CNC)CCC1
• Canonical SMILES: CNCC1CCCN(C1)Cc1ccccc1OC1CCCC1
• InChI: InChI=1S/C19H30N2O/c1-20-13-16-7-6-12-21(14-16)15-17-8-2-5-11-19(17)22-18-9-3-4-10-18/h2,5,8,11,16,18,20H,3-4,6-7,9-10,12-15H2,1H3
• InChIKey: ZIPSRANMQRZQJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-{[2-(cyclopentyloxy)phenyl]methyl}piperidin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-{[2-(cyclopentyloxy)phenyl]methyl}piperidin-3-yl)methyl](methyl)amine
• Synonyms: ({1-[2-(cyclopentyloxy)benzyl]piperidin-3-yl}methyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7852042
• LogD (pH = 7.4): 0.07485892
• Log P: 3.2575889
• Molar Refractivity: 92.3527 cm^3
• Polarizability: 36.571445 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.24
• LOG S: -3.17
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6