2,3-dimethylpiperidine hydrochloride

• ChemBase ID: 279057
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1C(C(C)CCC1)C.Cl
• Canonical SMILES: CC1NCCCC1C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6-4-3-5-8-7(6)2;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: UECZGGHXYWFHDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylpiperidine hydrochloride
• IUPAC Traditional name: 2,3-dimethylpiperidine hydrochloride
• Synonyms: 2,3-dimethylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD19160661
• PubChem SID: 164334967
• PubChem CID: 54595116

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7969215
• LogD (pH = 7.4): -1.4774121
• 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: 218 - 220°C
• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%