1-(cycloheptylmethyl)-4-phenylpiperazine

• ChemBase ID: 659295
• Molecular Formular: C18H28N2
• Molecular Mass: 272.42832
• Monoisotopic Mass: 272.22524891
• SMILES: N1(CCN(CC2CCCCCC2)CC1)c1ccccc1
• Canonical SMILES: C1CCCCC(C1)CN1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C18H28N2/c1-2-5-9-17(8-4-1)16-19-12-14-20(15-13-19)18-10-6-3-7-11-18/h3,6-7,10-11,17H,1-2,4-5,8-9,12-16H2
• InChIKey: PBXPHSUOGOWZLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cycloheptylmethyl)-4-phenylpiperazine
• IUPAC Traditional name: 1-(cycloheptylmethyl)-4-phenylpiperazine
• Synonyms: 1-(cycloheptylmethyl)-4-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2113218
• LogD (pH = 7.4): 2.7195773
• Log P: 4.4872613
• Molar Refractivity: 86.8827 cm^3
• Polarizability: 33.690735 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 4.74
• LOG S: -3.58
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3