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

• ChemBase ID: 855705
• Molecular Formular: C19H28N4
• Molecular Mass: 312.45242
• Monoisotopic Mass: 312.23139692
• SMILES: c1(n(ccn1)C)CN1CC(N(CCc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)Cc1nccn1C)CCc1ccccc1
• InChI: InChI=1S/C19H28N4/c1-21(13-10-17-7-4-3-5-8-17)18-9-6-12-23(15-18)16-19-20-11-14-22(19)2/h3-5,7-8,11,14,18H,6,9-10,12-13,15-16H2,1-2H3
• InChIKey: YCFGJUWCHRSHJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3767041
• LogD (pH = 7.4): 0.3576383
• Log P: 2.5903585
• Molar Refractivity: 96.3771 cm^3
• Polarizability: 37.34992 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: 2.81
• LOG S: -1.96
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6