4-ethylpiperidine hydrochloride

• ChemBase ID: 55837
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1NCCC(C1)CC.Cl
• Canonical SMILES: CCC1CCNCC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-2-7-3-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: YDEDPBSOZYZWTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperidine hydrochloride
• IUPAC Traditional name: 4-ethylpiperidine hydrochloride
• Synonyms: 4-Ethylpiperidine hydrochloride

Database IDs

• CAS Number: 3230-23-7
• MDL Number: MFCD08457904
• PubChem SID: 162060600
• PubChem CID: 23448130

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8425134
• LogD (pH = 7.4): -1.3862062
• Log P: 1.3890754
• Molar Refractivity: 35.985 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.983

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%