1-(2,3-dihydro-1H-inden-2-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-amine

• ChemBase ID: 414219
• Molecular Formular: C23H28N2
• Molecular Mass: 332.48182
• Monoisotopic Mass: 332.22524891
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC/C=C/c2ccccc2)CCC1
• Canonical SMILES: C(NC1CCCN(C1)C1Cc2c(C1)cccc2)/C=C/c1ccccc1
• InChI: InChI=1S/C23H28N2/c1-2-8-19(9-3-1)10-6-14-24-22-13-7-15-25(18-22)23-16-20-11-4-5-12-21(20)17-23/h1-6,8-12,22-24H,7,13-18H2/b10-6+
• InChIKey: WVOBJBUIUBRUKW-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-amine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-amine
• Synonyms: 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2E)-3-phenyl-2-propen-1-yl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.124398
• LogD (pH = 7.4): 2.629562
• Log P: 4.738509
• Molar Refractivity: 107.2023 cm^3
• Polarizability: 41.571213 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.67
• LOG S: -4.46
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5