4-ethenylpiperidine hydrochloride

• ChemBase ID: 272990
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: N1CCC(C=C)CC1.Cl
• Canonical SMILES: C=CC1CCNCC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c1-2-7-3-5-8-6-4-7;/h2,7-8H,1,3-6H2;1H
• InChIKey: MAIWJGZFUAHGOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenylpiperidine hydrochloride
• IUPAC Traditional name: 4-ethenylpiperidine hydrochloride
• Synonyms: 4-ethenylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD18483236
• PubChem SID: 164328900
• PubChem CID: 54592711

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1470768
• LogD (pH = 7.4): -1.7064362
• Log P: 1.0850874
• Molar Refractivity: 36.0291 cm^3
• Polarizability: 14.213848 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.499

Product Information

• Purity: 95%