1-(piperidin-4-ylmethyl)piperidine hydrate dihydrochloride

• ChemBase ID: 143993
• Molecular Formular: C11H26Cl2N2O
• Molecular Mass: 273.24294
• Monoisotopic Mass: 272.14221882
• SMILES: C1CCN(CC1)CC1CCNCC1.O.Cl.Cl
• Canonical SMILES: C1CCN(CC1)CC1CCNCC1.O.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH.H2O/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11;;;/h11-12H,1-10H2;2*1H;1H2
• InChIKey: VBBUUJGYFXYKNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-ylmethyl)piperidine hydrate dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-ylmethyl)piperidine hydrate dihydrochloride
• Synonyms: 1-(Piperidin-4-ylmethyl)piperidine dihydrochloride hydrate

Database IDs

• MDL Number: MFCD13193911
• PubChem SID: 162238210
• PubChem CID: 47000678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.5324454
• LogD (pH = 7.4): -4.1507764
• Log P: 1.1448945
• Molar Refractivity: 57.1045 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H26Cl2N2O

DETAILS

Sigma Aldrich - CBR00613

Other Notes
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