N-benzyl-N-methyl-1-(pyridin-4-ylmethyl)piperidin-3-amine

• ChemBase ID: 492916
• Molecular Formular: C19H25N3
• Molecular Mass: 295.4219
• Monoisotopic Mass: 295.20484782
• SMILES: N1(CC(N(Cc2ccccc2)C)CCC1)Cc1ccncc1
• Canonical SMILES: CN(C1CCCN(C1)Cc1ccncc1)Cc1ccccc1
• InChI: InChI=1S/C19H25N3/c1-21(14-17-6-3-2-4-7-17)19-8-5-13-22(16-19)15-18-9-11-20-12-10-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3
• InChIKey: UECIJUJZLGJQHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-1-(pyridin-4-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-benzyl-N-methyl-1-(pyridin-4-ylmethyl)piperidin-3-amine
• Synonyms: N-benzyl-N-methyl-1-(4-pyridinylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6589937
• LogD (pH = 7.4): 0.84224296
• Log P: 2.9056523
• Molar Refractivity: 92.2867 cm^3
• Polarizability: 36.141415 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.24
• LOG S: -1.05
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5