1-(2-chloroethyl)piperidine

• ChemBase ID: 92251
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: N1(CCCCC1)CCCl
• Canonical SMILES: ClCCN1CCCCC1
• InChI: InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
• InChIKey: WNRWEBKEQARBKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethyl)piperidine
• IUPAC Traditional name: 1-(2-chloroethyl)piperidine
• Synonyms: 1-(2-Chloroethyl)piperidine

Database IDs

• CAS Number: 1932-03-2
• MDL Number: MFCD00129177
• PubChem SID: 162078949
• PubChem CID: 74827

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1089522
• LogD (pH = 7.4): 0.6530636
• Log P: 1.7050254
• Molar Refractivity: 41.4734 cm^3
• Polarizability: 16.23566 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic