N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine

• ChemBase ID: 779221
• Molecular Formular: C19H26N2S
• Molecular Mass: 314.48814
• Monoisotopic Mass: 314.18166984
• SMILES: N1(CC(N(CCc2ccccc2)C)CCC1)Cc1cscc1
• Canonical SMILES: CN(C1CCCN(C1)Cc1cscc1)CCc1ccccc1
• InChI: InChI=1S/C19H26N2S/c1-20(12-9-17-6-3-2-4-7-17)19-8-5-11-21(15-19)14-18-10-13-22-16-18/h2-4,6-7,10,13,16,19H,5,8-9,11-12,14-15H2,1H3
• InChIKey: XQMYUCZGLJJCAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine
• Synonyms: N-methyl-N-(2-phenylethyl)-1-(3-thienylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4974488
• LogD (pH = 7.4): 1.90558
• Log P: 4.192428
• Molar Refractivity: 96.3044 cm^3
• Polarizability: 37.424774 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.61
• LOG S: -2.64
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6