4,4-dimethylpiperidine hydrochloride

• ChemBase ID: 24596
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1CCC(CC1)(C)C.Cl
• Canonical SMILES: CC1(C)CCNCC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H
• InChIKey: HQQCRVHZMQHQOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethylpiperidine hydrochloride
• IUPAC Traditional name: 4,4-dimethylpiperidine hydrochloride
• Synonyms: 4,4-Dimethylpiperidine hydrochloride

Database IDs

• CAS Number: 38646-68-3
• MDL Number: MFCD00035295
• PubChem SID: 160987903
• PubChem CID: 22252902

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9864352
• LogD (pH = 7.4): -1.5144051
• Log P: 1.2445539
• Molar Refractivity: 35.8591 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.973

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%