N-benzyl-N-methyl-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-amine

• ChemBase ID: 860511
• Molecular Formular: C24H34N4
• Molecular Mass: 378.55356
• Monoisotopic Mass: 378.27834711
• SMILES: N1(CC(N(Cc2ccccc2)C)CCC1)C1CCN(CC1)Cc1ncccc1
• Canonical SMILES: CN(C1CCCN(C1)C1CCN(CC1)Cc1ccccn1)Cc1ccccc1
• InChI: InChI=1S/C24H34N4/c1-26(18-21-8-3-2-4-9-21)24-11-7-15-28(20-24)23-12-16-27(17-13-23)19-22-10-5-6-14-25-22/h2-6,8-10,14,23-24H,7,11-13,15-20H2,1H3
• InChIKey: UBMGGYQGPCAWDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-amine
• IUPAC Traditional name: N-benzyl-N-methyl-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-amine
• Synonyms: N-benzyl-N-methyl-1'-(2-pyridinylmethyl)-1,4'-bipiperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2433686
• LogD (pH = 7.4): 0.3357285
• Log P: 3.0139303
• Molar Refractivity: 117.2156 cm^3
• Polarizability: 46.15327 Å^3
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.12
• LOG S: -1.45
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 6