1-(piperidin-4-yl)pyrrolidine-2-carboxamide dihydrochloride

• ChemBase ID: 266219
• Molecular Formular: C10H21Cl2N3O
• Molecular Mass: 270.19924
• Monoisotopic Mass: 269.10616767
• SMILES: N1(C(C(=O)N)CCC1)C1CCNCC1.Cl.Cl
• Canonical SMILES: NC(=O)C1CCCN1C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H19N3O.2ClH/c11-10(14)9-2-1-7-13(9)8-3-5-12-6-4-8;;/h8-9,12H,1-7H2,(H2,11,14);2*1H
• InChIKey: KAQYFZUQHQFFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)pyrrolidine-2-carboxamide dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)pyrrolidine-2-carboxamide dihydrochloride
• Synonyms: 1-(piperidin-4-yl)pyrrolidine-2-carboxamide dihydrochloride

Database IDs

• MDL Number: MFCD15209620
• PubChem SID: 164322129
• PubChem CID: 47002628

CALCULATED PROPERTIES

• Acid pKa: 16.41307
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.8408155
• LogD (pH = 7.4): -3.8122385
• Log P: -0.8772779
• Molar Refractivity: 55.3376 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.868

Product Information

• Purity: 95%