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

• ChemBase ID: 783054
• Molecular Formular: C20H30N4
• Molecular Mass: 326.479
• Monoisotopic Mass: 326.24704698
• SMILES: c1(n(ccn1)CC)CNC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: CCn1ccnc1CNC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C20H30N4/c1-2-24-15-12-21-20(24)16-22-19-11-7-14-23(17-19)13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15,19,22H,2,6-7,10-11,13-14,16-17H2,1H3
• InChIKey: DEVXUWNOOICXIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.48350102
• LogD (pH = 7.4): 1.5528905
• Log P: 3.0086873
• Molar Refractivity: 100.432 cm^3
• Polarizability: 39.196476 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.18
• LOG S: -3.12
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 7