4-methyl-1-(piperidine-4-carbonyl)piperidine hydrochloride

• ChemBase ID: 48998
• Molecular Formular: C12H23ClN2O
• Molecular Mass: 246.77682
• Monoisotopic Mass: 246.14989105
• SMILES: C(=O)(N1CCC(CC1)C)C1CCNCC1.Cl
• Canonical SMILES: CC1CCN(CC1)C(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C12H22N2O.ClH/c1-10-4-8-14(9-5-10)12(15)11-2-6-13-7-3-11;/h10-11,13H,2-9H2,1H3;1H
• InChIKey: MOSFGVQANDSOFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(piperidine-4-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 4-methyl-1-(piperidine-4-carbonyl)piperidine hydrochloride
• Synonyms: (4-methylpiperidino)(4-piperidinyl)methanone hydrochloride; (4-Methyl-1-piperidinyl)(4-piperidinyl)methanone hydrochloride; 4-methyl-1-(piperidin-4-ylcarbonyl)piperidine hydrochloride; (4-Methylpiperidin-1-yl)(piperidin-4-yl)methanone hydrochloride

Database IDs

• CAS Number: 690632-27-0
• MDL Number: MFCD06407989
• PubChem SID: 162053761
• PubChem CID: 2794690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5679445
• LogD (pH = 7.4): -1.9835086
• Log P: 0.65802693
• Molar Refractivity: 61.3815 cm^3
• Polarizability: 24.10781 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 0.112

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%