1-(3-azidopropyl)-4-(trifluoromethyl)piperidine

• ChemBase ID: 241836
• Molecular Formular: C9H15F3N4
• Molecular Mass: 236.2374096
• Monoisotopic Mass: 236.12488116
• SMILES: [N+](=[N-])=NCCCN1CCC(C(F)(F)F)CC1
• Canonical SMILES: FC(C1CCN(CC1)CCCN=[N+]=[N-])(F)F
• InChI: InChI=1S/C9H15F3N4/c10-9(11,12)8-2-6-16(7-3-8)5-1-4-14-15-13/h8H,1-7H2
• InChIKey: GGGSLAWIBLRKJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-azidopropyl)-4-(trifluoromethyl)piperidine
• IUPAC Traditional name: 1-(3-azidopropyl)-4-(trifluoromethyl)piperidine
• Synonyms: 1-(3-azidopropyl)-4-(trifluoromethyl)piperidine

Database IDs

• MDL Number: MFCD20822157
• PubChem SID: 164297746
• PubChem CID: 65537751

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2946677
• LogD (pH = 7.4): 0.4295052
• Log P: 1.7950512
• Molar Refractivity: 54.9868 cm^3
• Polarizability: 19.792242 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.898

Product Information

• Purity: 95%