[(1-cyclohexylpiperidin-3-yl)methyl][(1-methyl-1H-pyrazol-4-yl)methyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 593516
• Molecular Formular: C23H35N5
• Molecular Mass: 381.5575
• Monoisotopic Mass: 381.28924615
• SMILES: c1(cn(nc1)C)CN(CC1CN(C2CCCCC2)CCC1)Cc1cnccc1
• Canonical SMILES: Cn1ncc(c1)CN(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C23H35N5/c1-26-15-22(14-25-26)18-27(16-20-7-5-11-24-13-20)17-21-8-6-12-28(19-21)23-9-3-2-4-10-23/h5,7,11,13-15,21,23H,2-4,6,8-10,12,16-19H2,1H3
• InChIKey: IOJHWICWCZQJJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-cyclohexylpiperidin-3-yl)methyl][(1-methyl-1H-pyrazol-4-yl)methyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [(1-cyclohexylpiperidin-3-yl)methyl][(1-methylpyrazol-4-yl)methyl](pyridin-3-ylmethyl)amine
• Synonyms: 1-(1-cyclohexyl-3-piperidinyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4018632
• LogD (pH = 7.4): 0.097267024
• Log P: 3.1775374
• Molar Refractivity: 127.1443 cm^3
• Polarizability: 44.985786 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.81
• LOG S: -2.66
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 7