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

• ChemBase ID: 404455
• Molecular Formular: C21H32N4
• Molecular Mass: 340.50558
• Monoisotopic Mass: 340.26269704
• SMILES: c1(n(ccn1)CC)CN(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: CCn1ccnc1CN(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C21H32N4/c1-3-25-16-13-22-21(25)18-23(2)20-12-8-15-24(17-20)14-7-11-19-9-5-4-6-10-19/h4-6,9-10,13,16,20H,3,7-8,11-12,14-15,17-18H2,1-2H3
• InChIKey: HKOGFGVAPZGRHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4145059
• LogD (pH = 7.4): 1.3038476
• Log P: 3.391735
• Molar Refractivity: 105.7267 cm^3
• Polarizability: 41.042534 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.71
• LOG S: -2.64
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7