1-(pyridine-4-carbonyl)piperidin-4-amine

• ChemBase ID: 265035
• Molecular Formular: C11H15N3O
• Molecular Mass: 205.2563
• Monoisotopic Mass: 205.12151212
• SMILES: C(=O)(N1CCC(CC1)N)c1ccncc1
• Canonical SMILES: NC1CCN(CC1)C(=O)c1ccncc1
• InChI: InChI=1S/C11H15N3O/c12-10-3-7-14(8-4-10)11(15)9-1-5-13-6-2-9/h1-2,5-6,10H,3-4,7-8,12H2
• InChIKey: URGXEIDULPADAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridine-4-carbonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(pyridine-4-carbonyl)piperidin-4-amine
• Synonyms: 1-[(pyridin-4-yl)carbonyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD06740651
• PubChem SID: 164320945
• PubChem CID: 4778217

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7559543
• LogD (pH = 7.4): -3.1841774
• Log P: -0.7352564
• Molar Refractivity: 58.1547 cm^3
• Polarizability: 22.268112 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): -1.288

Product Information

• Purity: 95%