N-benzyl-N-methyl-1-(1-methyl-1,2,3,4-tetrahydroquinoline-6-carbonyl)piperidin-3-amine

• ChemBase ID: 390594
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: N1(C(=O)c2cc3c(N(CCC3)C)cc2)CC(N(Cc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)C(=O)c1ccc2c(c1)CCCN2C)Cc1ccccc1
• InChI: InChI=1S/C24H31N3O/c1-25-14-6-10-20-16-21(12-13-23(20)25)24(28)27-15-7-11-22(18-27)26(2)17-19-8-4-3-5-9-19/h3-5,8-9,12-13,16,22H,6-7,10-11,14-15,17-18H2,1-2H3
• InChIKey: ANXOLRBNGGJMND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-1-(1-methyl-1,2,3,4-tetrahydroquinoline-6-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-benzyl-N-methyl-1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-amine
• Synonyms: N-benzyl-N-methyl-1-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0133197
• LogD (pH = 7.4): 2.7102838
• Log P: 4.0724216
• Molar Refractivity: 117.1119 cm^3
• Polarizability: 44.160393 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.7
• LOG S: -4.25
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4