3-(3-cyclohexylpyrrolidin-1-yl)-1-ethylpiperidine

• ChemBase ID: 827183
• Molecular Formular: C17H32N2
• Molecular Mass: 264.44938
• Monoisotopic Mass: 264.25654903
• SMILES: N1(CC(CC1)C1CCCCC1)C1CN(CCC1)CC
• Canonical SMILES: CCN1CCCC(C1)N1CCC(C1)C1CCCCC1
• InChI: InChI=1S/C17H32N2/c1-2-18-11-6-9-17(14-18)19-12-10-16(13-19)15-7-4-3-5-8-15/h15-17H,2-14H2,1H3
• InChIKey: JODIUSQJXNIDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-cyclohexylpyrrolidin-1-yl)-1-ethylpiperidine
• IUPAC Traditional name: 3-(3-cyclohexylpyrrolidin-1-yl)-1-ethylpiperidine
• Synonyms: 3-(3-cyclohexyl-1-pyrrolidinyl)-1-ethylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8247622
• LogD (pH = 7.4): 0.28396204
• Log P: 3.4035246
• Molar Refractivity: 83.13 cm^3
• Polarizability: 32.94938 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: 2
• H Donor: 0
• Log P: 3.87
• LOG S: -3.42
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3