N-[cyclohexyl(thiophen-2-yl)methyl]-1-methylpiperidin-4-amine

• ChemBase ID: 690207
• Molecular Formular: C17H28N2S
• Molecular Mass: 292.48262
• Monoisotopic Mass: 292.19731991
• SMILES: c1(C(NC2CCN(CC2)C)C2CCCCC2)sccc1
• Canonical SMILES: CN1CCC(CC1)NC(c1cccs1)C1CCCCC1
• InChI: InChI=1S/C17H28N2S/c1-19-11-9-15(10-12-19)18-17(16-8-5-13-20-16)14-6-3-2-4-7-14/h5,8,13-15,17-18H,2-4,6-7,9-12H2,1H3
• InChIKey: ZTLZZXXCJRDECQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclohexyl(thiophen-2-yl)methyl]-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-[cyclohexyl(thiophen-2-yl)methyl]-1-methylpiperidin-4-amine
• Synonyms: N-[cyclohexyl(2-thienyl)methyl]-1-methylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3486977
• LogD (pH = 7.4): 0.81089395
• Log P: 3.6453326
• Molar Refractivity: 87.0622 cm^3
• Polarizability: 34.526745 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.64
• LOG S: -3.44
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4