1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]piperidin-3-amine

• ChemBase ID: 499302
• Molecular Formular: C22H32N4
• Molecular Mass: 352.51628
• Monoisotopic Mass: 352.26269704
• SMILES: c1(n(ccn1)CCC)CN(C1CN(C2Cc3c(C2)cccc3)CCC1)C
• Canonical SMILES: CCCn1ccnc1CN(C1CCCN(C1)C1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C22H32N4/c1-3-11-25-13-10-23-22(25)17-24(2)20-9-6-12-26(16-20)21-14-18-7-4-5-8-19(18)15-21/h4-5,7-8,10,13,20-21H,3,6,9,11-12,14-17H2,1-2H3
• InChIKey: GXUOVEMYTIHSLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]piperidin-3-amine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]piperidin-3-amine
• Synonyms: 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.24818838
• LogD (pH = 7.4): 1.4092089
• Log P: 3.5693443
• Molar Refractivity: 108.6295 cm^3
• Polarizability: 42.0674 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.0
• LOG S: -4.18
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6