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

• ChemBase ID: 66602
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CCCCC1)C1(CCNCC1)C.Cl.Cl
• Canonical SMILES: CC1(CCNCC1)N1CCCCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-11(5-7-12-8-6-11)13-9-3-2-4-10-13;;/h12H,2-10H2,1H3;2*1H
• InChIKey: YWAPNCGBIUSKMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-4-(piperidin-1-yl)piperidine dihydrochloride
• IUPAC Traditional name: 4-methyl-4-(piperidin-1-yl)piperidine dihydrochloride
• Synonyms: 4'-Methyl-[1,4']bipiperidinyl dihydrochloride

Database IDs

• CAS Number: 3543-23-5
• PubChem SID: 162032339
• PubChem CID: 46738258

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.0012546
• LogD (pH = 7.4): -3.0185082
• Log P: 0.96487045
• Molar Refractivity: 56.9247 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%