4-(piperidin-1-yl)piperidine dihydrochloride

• ChemBase ID: 48009
• Molecular Formular: C10H22Cl2N2
• Molecular Mass: 241.20108
• Monoisotopic Mass: 240.11600407
• SMILES: N1(C2CCNCC2)CCCCC1.Cl.Cl
• Canonical SMILES: C1CCN(CC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h10-11H,1-9H2;2*1H
• InChIKey: BBQDEKNMSAXDAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)piperidine dihydrochloride; 1-(piperidin-4-yl)piperidine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-1-yl)piperidine dihydrochloride; 4-piperidino-piperidine dihydrochloride
• Synonyms: 4-(1-Piperidinyl)piperidine dihydrochloride; 4-(1-Piperidinyl)piperidine 2HCl; 1,4'-Bipiperidine dihydrochloride

Database IDs

• CAS Number: 4876-60-2; 172281-92-4
• MDL Number: MFCD06658209
• PubChem SID: 162052772
• PubChem CID: 22481888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2011404
• LogD (pH = 7.4): -3.1269143
• Log P: 0.6842938
• Molar Refractivity: 52.2865 cm^3
• Polarizability: 20.7646 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: 97%; 98%