1-(2,3-dihydro-1H-inden-2-yl)-N-(thiophen-3-ylmethyl)piperidin-3-amine

• ChemBase ID: 366024
• Molecular Formular: C19H24N2S
• Molecular Mass: 312.47226
• Monoisotopic Mass: 312.16601978
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NCc2cscc2)CCC1
• Canonical SMILES: C1CC(NCc2ccsc2)CN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H24N2S/c1-2-5-17-11-19(10-16(17)4-1)21-8-3-6-18(13-21)20-12-15-7-9-22-14-15/h1-2,4-5,7,9,14,18-20H,3,6,8,10-13H2
• InChIKey: HOOWFVRDJYVOMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)-N-(thiophen-3-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)-N-(thiophen-3-ylmethyl)piperidin-3-amine
• Synonyms: 1-(2,3-dihydro-1H-inden-2-yl)-N-(3-thienylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.43169203
• LogD (pH = 7.4): 1.9025002
• Log P: 3.9090354
• Molar Refractivity: 93.9895 cm^3
• Polarizability: 36.605247 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: 3.87
• LOG S: -3.57
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4