1-(chloromethyl)piperidine

• ChemBase ID: 812703
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: C1CCN(CC1)CCl
• Canonical SMILES: ClCN1CCCCC1
• InChI: InChI=1S/C6H12ClN/c7-6-8-4-2-1-3-5-8/h1-6H2
• InChIKey: RQYKSYJVWNUSHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)piperidine
• IUPAC Traditional name: 1-(chloromethyl)piperidine
• Synonyms: N-CHLOROMETHYL PIPERIDINE

Database IDs

• CAS Number: 16158-88-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5880097
• LogD (pH = 7.4): 1.653392
• Log P: 1.6542926
• Molar Refractivity: 36.7695 cm^3
• Polarizability: 14.401039 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%