1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine

• ChemBase ID: 854333
• Molecular Formular: C16H29F3N2
• Molecular Mass: 306.4100696
• Monoisotopic Mass: 306.2282836
• SMILES: C(F)(F)(F)CCCNC1CN(CC2CCCCC2)CCC1
• Canonical SMILES: FC(CCCNC1CCCN(C1)CC1CCCCC1)(F)F
• InChI: InChI=1S/C16H29F3N2/c17-16(18,19)9-5-10-20-15-8-4-11-21(13-15)12-14-6-2-1-3-7-14/h14-15,20H,1-13H2
• InChIKey: RGDMUEHPOQKTJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
• Synonyms: 1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3799531
• LogD (pH = 7.4): 0.70369345
• Log P: 3.9196744
• Molar Refractivity: 80.3256 cm^3
• Polarizability: 30.936539 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1
• Log P: 4.06
• LOG S: -3.31