1-(piperidin-4-yl)piperidine-3-carboxylic acid dihydrochloride

• ChemBase ID: 15730
• Molecular Formular: C11H22Cl2N2O2
• Molecular Mass: 285.21058
• Monoisotopic Mass: 284.10583331
• SMILES: C1(N2CC(CCC2)C(=O)O)CCNCC1.Cl.Cl
• Canonical SMILES: OC(=O)C1CCCN(C1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H20N2O2.2ClH/c14-11(15)9-2-1-7-13(8-9)10-3-5-12-6-4-10;;/h9-10,12H,1-8H2,(H,14,15);2*1H
• InChIKey: QLQIDWZIPJTBJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperidine-3-carboxylic acid dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)piperidine-3-carboxylic acid dihydrochloride
• Synonyms: 1,4'-Bipiperidine-3-carboxylic acid dihydrochloride

Database IDs

• MDL Number: MFCD06799961
• PubChem SID: 160979037
• PubChem CID: 45075043

CALCULATED PROPERTIES

• Acid pKa: 3.758641
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.2155766
• LogD (pH = 7.4): -3.4650156
• Log P: -2.6409361
• Molar Refractivity: 58.3724 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