N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine

• ChemBase ID: 316322
• Molecular Formular: C16H23FN2
• Molecular Mass: 262.3656232
• Monoisotopic Mass: 262.18452697
• SMILES: N1(Cc2c(F)cccc2)CC(NCC2CC2)CCC1
• Canonical SMILES: Fc1ccccc1CN1CCCC(C1)NCC1CC1
• InChI: InChI=1S/C16H23FN2/c17-16-6-2-1-4-14(16)11-19-9-3-5-15(12-19)18-10-13-7-8-13/h1-2,4,6,13,15,18H,3,5,7-12H2
• InChIKey: FULPGXYCFNVAGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
• IUPAC Traditional name: N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
• Synonyms: N-(cyclopropylmethyl)-1-(2-fluorobenzyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5793407
• LogD (pH = 7.4): 0.13959545
• Log P: 2.9390829
• Molar Refractivity: 76.6947 cm^3
• Polarizability: 29.98723 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: 3.39
• LOG S: -1.96
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5