1-(piperidin-4-yl)piperidine-4-carboxylic acid dihydrochloride

• ChemBase ID: 15721
• Molecular Formular: C11H22Cl2N2O2
• Molecular Mass: 285.21058
• Monoisotopic Mass: 284.10583331
• SMILES: N1(CCC(CC1)C(=O)O)C1CCNCC1.Cl.Cl
• Canonical SMILES: OC(=O)C1CCN(CC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H20N2O2.2ClH/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10;;/h9-10,12H,1-8H2,(H,14,15);2*1H
• InChIKey: KDSNBSFWDZYGSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperidine-4-carboxylic acid dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)piperidine-4-carboxylic acid dihydrochloride
• Synonyms: 1,4'-Bipiperidine-4-carboxylic acid dihydrochloride

Database IDs

• MDL Number: MFCD06799962
• PubChem SID: 160979028
• PubChem CID: 45075035

CALCULATED PROPERTIES

• Acid pKa: 4.1792054
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.291155
• LogD (pH = 7.4): -3.5211883
• Log P: -2.764685
• Molar Refractivity: 58.5264 cm^3
• Polarizability: 23.102808 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false