1-(1-cyclohexylpiperidin-3-yl)-4-phenylpiperazine

• ChemBase ID: 342852
• Molecular Formular: C21H33N3
• Molecular Mass: 327.50682
• Monoisotopic Mass: 327.26744807
• SMILES: N1(CC(N2CCN(CC2)c2ccccc2)CCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)N1CCCC(C1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C21H33N3/c1-3-8-19(9-4-1)22-14-16-23(17-15-22)21-12-7-13-24(18-21)20-10-5-2-6-11-20/h1,3-4,8-9,20-21H,2,5-7,10-18H2
• InChIKey: YVCBPWXTVRNUHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclohexylpiperidin-3-yl)-4-phenylpiperazine
• IUPAC Traditional name: 1-(1-cyclohexylpiperidin-3-yl)-4-phenylpiperazine
• Synonyms: 1-(1-cyclohexyl-3-piperidinyl)-4-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.53373396
• LogD (pH = 7.4): 1.358121
• Log P: 4.211889
• Molar Refractivity: 102.7812 cm^3
• Polarizability: 40.00937 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.44
• LOG S: -3.11
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3