N-benzyl-1-(cyclopropylmethyl)-N-methylpiperidin-3-amine

• ChemBase ID: 579359
• Molecular Formular: C17H26N2
• Molecular Mass: 258.40174
• Monoisotopic Mass: 258.20959884
• SMILES: N1(CC(N(Cc2ccccc2)C)CCC1)CC1CC1
• Canonical SMILES: CN(C1CCCN(C1)CC1CC1)Cc1ccccc1
• InChI: InChI=1S/C17H26N2/c1-18(12-15-6-3-2-4-7-15)17-8-5-11-19(14-17)13-16-9-10-16/h2-4,6-7,16-17H,5,8-14H2,1H3
• InChIKey: CEUHWYAQJMJVOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-(cyclopropylmethyl)-N-methylpiperidin-3-amine
• IUPAC Traditional name: N-benzyl-1-(cyclopropylmethyl)-N-methylpiperidin-3-amine
• Synonyms: N-benzyl-1-(cyclopropylmethyl)-N-methyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8238031
• LogD (pH = 7.4): 0.6150749
• Log P: 3.1794288
• Molar Refractivity: 81.773 cm^3
• Polarizability: 32.24483 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.84
• LOG S: -1.3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5