2-methyl-1-(piperidin-4-yl)piperidine dihydrochloride

• ChemBase ID: 48015
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(C2CCNCC2)C(C)CCCC1.Cl.Cl
• Canonical SMILES: CC1CCCCN1C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-10-4-2-3-9-13(10)11-5-7-12-8-6-11;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: CCMUAUAVOVMPAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(piperidin-4-yl)piperidine dihydrochloride
• IUPAC Traditional name: 2-methyl-1-(piperidin-4-yl)piperidine dihydrochloride
• Synonyms: 4-(2-Methyl-1-piperidinyl)piperidine dihydrochloride; 2-methyl-1-(piperidin-4-yl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD12197146
• PubChem SID: 162052778
• PubChem CID: 45791523

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8748655
• LogD (pH = 7.4): -2.8908417
• Log P: 1.1008688
• Molar Refractivity: 56.7053 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 1.252

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%