1-(cyclohexylmethyl)-N-{[2-(1H-pyrazol-1-ylmethyl)phenyl]methyl}piperidin-3-amine

• ChemBase ID: 504088
• Molecular Formular: C23H34N4
• Molecular Mass: 366.54286
• Monoisotopic Mass: 366.27834711
• SMILES: n1(nccc1)Cc1c(CNC2CN(CC3CCCCC3)CCC2)cccc1
• Canonical SMILES: C1CCC(CC1)CN1CCCC(C1)NCc1ccccc1Cn1cccn1
• InChI: InChI=1S/C23H34N4/c1-2-8-20(9-3-1)17-26-14-6-12-23(19-26)24-16-21-10-4-5-11-22(21)18-27-15-7-13-25-27/h4-5,7,10-11,13,15,20,23-24H,1-3,6,8-9,12,14,16-19H2
• InChIKey: GZXQNSYCIOIMCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-{[2-(1H-pyrazol-1-ylmethyl)phenyl]methyl}piperidin-3-amine
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-{[2-(pyrazol-1-ylmethyl)phenyl]methyl}piperidin-3-amine
• Synonyms: 1-(cyclohexylmethyl)-N-[2-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.38601646
• LogD (pH = 7.4): 1.8316438
• Log P: 4.28242
• Molar Refractivity: 123.7973 cm^3
• Polarizability: 44.065098 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.95
• LOG S: -3.71
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 7