4-(piperidin-1-ylmethyl)piperidine dihydrochloride

• ChemBase ID: 47954
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CC2CCNCC2)CCCCC1.Cl.Cl
• Canonical SMILES: C1CCN(CC1)CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11;;/h11-12H,1-10H2;2*1H
• InChIKey: UAWBHEZCKIEEAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-ylmethyl)piperidine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-1-ylmethyl)piperidine dihydrochloride
• Synonyms: 1-(4-Piperidinylmethyl)piperidine dihydrochloride; 1-(piperidin-4-ylmethyl)piperidine dihydrochloride

Database IDs

• CAS Number: 32832-17-0
• MDL Number: MFCD12407022
• PubChem SID: 162052717
• PubChem CID: 22677916

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

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 1.442

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%