1-[(5-cyclopentylthiophen-2-yl)methyl]-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 865862
• Molecular Formular: C19H30N2S
• Molecular Mass: 318.5199
• Monoisotopic Mass: 318.21296997
• SMILES: s1c(ccc1CN1CC(N2CCCC2)CCC1)C1CCCC1
• Canonical SMILES: C1CCN(C1)C1CCCN(C1)Cc1ccc(s1)C1CCCC1
• InChI: InChI=1S/C19H30N2S/c1-2-7-16(6-1)19-10-9-18(22-19)15-20-11-5-8-17(14-20)21-12-3-4-13-21/h9-10,16-17H,1-8,11-15H2
• InChIKey: HJQFDWKXJHFQCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-cyclopentylthiophen-2-yl)methyl]-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-[(5-cyclopentylthiophen-2-yl)methyl]-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-[(5-cyclopentyl-2-thienyl)methyl]-3-(1-pyrrolidinyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.69123137
• LogD (pH = 7.4): 2.2037423
• Log P: 4.5203905
• Molar Refractivity: 95.7136 cm^3
• Polarizability: 37.399273 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.91
• LOG S: -3.42
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4