4-ethyl-4-methylpiperidine hydrochloride

• ChemBase ID: 267230
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: N1CCC(CC)(CC1)C.Cl
• Canonical SMILES: CCC1(C)CCNCC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-3-8(2)4-6-9-7-5-8;/h9H,3-7H2,1-2H3;1H
• InChIKey: KRKMRUQIEMZLPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-4-methylpiperidine hydrochloride
• IUPAC Traditional name: 4-ethyl-4-methylpiperidine hydrochloride
• Synonyms: 4-ethyl-4-methylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD16040158
• PubChem SID: 164323140
• PubChem CID: 47002968

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5418459
• LogD (pH = 7.4): -1.069284
• Log P: 1.6891226
• Molar Refractivity: 40.4601 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.502

Product Information

• Purity: 95%