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

• ChemBase ID: 621398
• Molecular Formular: C20H28N4
• Molecular Mass: 324.46312
• Monoisotopic Mass: 324.23139692
• SMILES: c1(n(ccn1)C)CN(C1CN(C2Cc3c(C2)cccc3)CCC1)C
• Canonical SMILES: CN(C1CCCN(C1)C1Cc2c(C1)cccc2)Cc1nccn1C
• InChI: InChI=1S/C20H28N4/c1-22-11-9-21-20(22)15-23(2)18-8-5-10-24(14-18)19-12-16-6-3-4-7-17(16)13-19/h3-4,6-7,9,11,18-19H,5,8,10,12-15H2,1-2H3
• InChIKey: YOCGGXLGQOIZPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.142061
• LogD (pH = 7.4): 0.5281781
• Log P: 2.6900141
• Molar Refractivity: 99.3569 cm^3
• Polarizability: 38.37626 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.6
• LOG S: -2.32
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4