[(1-cyclohexylpiperidin-3-yl)methyl][(3-methoxyphenyl)methyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 696422
• Molecular Formular: C26H37N3O
• Molecular Mass: 407.59148
• Monoisotopic Mass: 407.29366282
• SMILES: N1(CC(CN(Cc2cnccc2)Cc2cc(OC)ccc2)CCC1)C1CCCCC1
• Canonical SMILES: COc1cccc(c1)CN(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C26H37N3O/c1-30-26-13-5-8-22(16-26)18-28(19-23-9-6-14-27-17-23)20-24-10-7-15-29(21-24)25-11-3-2-4-12-25/h5-6,8-9,13-14,16-17,24-25H,2-4,7,10-12,15,18-21H2,1H3
• InChIKey: BUSGJHQEEWNPMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-cyclohexylpiperidin-3-yl)methyl][(3-methoxyphenyl)methyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [(1-cyclohexylpiperidin-3-yl)methyl][(3-methoxyphenyl)methyl](pyridin-3-ylmethyl)amine
• Synonyms: 1-(1-cyclohexyl-3-piperidinyl)-N-(3-methoxybenzyl)-N-(3-pyridinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.48817998
• LogD (pH = 7.4): 1.3659278
• Log P: 4.592006
• Molar Refractivity: 124.7041 cm^3
• Polarizability: 48.961956 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.61
• LOG S: -3.15
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7