2-(4-aminopiperidin-1-yl)pyridine-4-carboxylic acid dihydrochloride

• ChemBase ID: 285186
• Molecular Formular: C11H17Cl2N3O2
• Molecular Mass: 294.17758
• Monoisotopic Mass: 293.06978216
• SMILES: N1(c2cc(C(=O)O)ccn2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)c1nccc(c1)C(=O)O.Cl.Cl
• InChI: InChI=1S/C11H15N3O2.2ClH/c12-9-2-5-14(6-3-9)10-7-8(11(15)16)1-4-13-10;;/h1,4,7,9H,2-3,5-6,12H2,(H,15,16);2*1H
• InChIKey: ASXLGCSQVDTGFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)pyridine-4-carboxylic acid dihydrochloride
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)pyridine-4-carboxylic acid dihydrochloride
• Synonyms: 2-(4-aminopiperidin-1-yl)pyridine-4-carboxylic acid dihydrochloride

Database IDs

• MDL Number: MFCD20731212
• PubChem SID: 180670717
• PubChem CID: 56828104

CALCULATED PROPERTIES

• Acid pKa: 0.89180136
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.226191
• LogD (pH = 7.4): -2.1406436
• Log P: -1.976727
• Molar Refractivity: 61.2812 cm^3
• Polarizability: 22.921131 Å^3
• Polar Surface Area: 79.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 306 - 308°C
• Hydrophobicity(logP): -2.07

Product Information

• Purity: 95%