2,6-dimethylpiperidine-1-carbonyl chloride

• ChemBase ID: 245753
• Molecular Formular: C8H14ClNO
• Molecular Mass: 175.65586
• Monoisotopic Mass: 175.07639175
• SMILES: N1(C(=O)Cl)C(CCCC1C)C
• Canonical SMILES: CC1CCCC(N1C(=O)Cl)C
• InChI: InChI=1S/C8H14ClNO/c1-6-4-3-5-7(2)10(6)8(9)11/h6-7H,3-5H2,1-2H3
• InChIKey: JOPVMXGJULJMLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpiperidine-1-carbonyl chloride
• IUPAC Traditional name: 2,6-dimethylpiperidine-1-carbonyl chloride
• Synonyms: 2,6-dimethylpiperidine-1-carbonyl chloride

Database IDs

• MDL Number: MFCD19281921
• PubChem SID: 164301663
• PubChem CID: 19070661

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1073067
• LogD (pH = 7.4): 2.1073067
• Log P: 2.1073067
• Molar Refractivity: 45.9519 cm^3
• Polarizability: 17.832054 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.998

Product Information

• Purity: 95%