N-methyl-1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine

• ChemBase ID: 781775
• Molecular Formular: C23H30N4
• Molecular Mass: 362.5111
• Monoisotopic Mass: 362.24704698
• SMILES: c1(nc2c(n1C)cccc2)CN1CC(N(CCc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)Cc1nc2c(n1C)cccc2)CCc1ccccc1
• InChI: InChI=1S/C23H30N4/c1-25(16-14-19-9-4-3-5-10-19)20-11-8-15-27(17-20)18-23-24-21-12-6-7-13-22(21)26(23)2/h3-7,9-10,12-13,20H,8,11,14-18H2,1-2H3
• InChIKey: JTSNHBSUZZFHMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
• IUPAC Traditional name: N-methyl-1-[(1-methyl-1,3-benzodiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
• Synonyms: N-methyl-1-[(1-methyl-1H-benzimidazol-2-yl)methyl]-N-(2-phenylethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.46431792
• LogD (pH = 7.4): 1.7760798
• Log P: 3.9950867
• Molar Refractivity: 112.3328 cm^3
• Polarizability: 44.93171 Å^3
• Polar Surface Area: 24.3 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: 4.4
• LOG S: -3.35
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6