3-(piperidin-1-yl)-8-azabicyclo[3.2.1]octane dihydrochloride

• ChemBase ID: 19492
• Molecular Formular: C12H24Cl2N2
• Molecular Mass: 267.23836
• Monoisotopic Mass: 266.13165414
• SMILES: C1(N2CCCCC2)CC2NC(C1)CC2.Cl.Cl
• Canonical SMILES: C1CCN(CC1)C1CC2CCC(C1)N2.Cl.Cl
• InChI: InChI=1S/C12H22N2.2ClH/c1-2-6-14(7-3-1)12-8-10-4-5-11(9-12)13-10;;/h10-13H,1-9H2;2*1H
• InChIKey: SPEDBWAKOJNQEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-1-yl)-8-azabicyclo[3.2.1]octane dihydrochloride
• IUPAC Traditional name: 3-(piperidin-1-yl)-8-azabicyclo[3.2.1]octane dihydrochloride
• Synonyms: 3-(1-Piperidinyl)-8-azabicyclo[3.2.1]octane dihydrochloride

Database IDs

• MDL Number: MFCD11100474
• PubChem SID: 160982799
• PubChem CID: 46735556

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.037186
• LogD (pH = 7.4): -3.2398562
• Log P: 1.2096254
• Molar Refractivity: 59.1679 cm^3
• Polarizability: 23.718283 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