N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylcyclobutanamine

• ChemBase ID: 459128
• Molecular Formular: C19H29ClN2
• Molecular Mass: 320.89996
• Monoisotopic Mass: 320.20192662
• SMILES: N1(CCc2ccc(Cl)cc2)CCC(CN(C2CCC2)C)CC1
• Canonical SMILES: CN(C1CCC1)CC1CCN(CC1)CCc1ccc(cc1)Cl
• InChI: InChI=1S/C19H29ClN2/c1-21(19-3-2-4-19)15-17-10-13-22(14-11-17)12-9-16-5-7-18(20)8-6-16/h5-8,17,19H,2-4,9-15H2,1H3
• InChIKey: LFSGQDGRWYGFCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylcyclobutanamine
• IUPAC Traditional name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylcyclobutanamine
• Synonyms: ({1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl}methyl)cyclobutyl(methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.6030352
• LogD (pH = 7.4): -0.6270801
• Log P: 4.2048883
• Molar Refractivity: 96.2418 cm^3
• Polarizability: 37.663338 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.25
• LOG S: -3.28
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6