2,5-dimethylpiperidine hydrochloride

• ChemBase ID: 285156
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1CC(CCC1C)C.Cl
• Canonical SMILES: CC1CCC(CN1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6-3-4-7(2)8-5-6;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: ZBLZZASAHWIFBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpiperidine hydrochloride
• IUPAC Traditional name: 2,5-dimethylpiperidine hydrochloride
• Synonyms: 2,5-dimethylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD19218544
• PubChem SID: 180670687
• PubChem CID: 55286237

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7969143
• LogD (pH = 7.4): -1.4771407
• Log P: 1.4390355
• Molar Refractivity: 35.7258 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

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%