N-(3-hydroxypropyl)piperidine-4-carboxamide

• ChemBase ID: 257453
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(=O)(C1CCNCC1)NCCCO
• Canonical SMILES: OCCCNC(=O)C1CCNCC1
• InChI: InChI=1S/C9H18N2O2/c12-7-1-4-11-9(13)8-2-5-10-6-3-8/h8,10,12H,1-7H2,(H,11,13)
• InChIKey: SIWNVIUTLKFASK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxypropyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(3-hydroxypropyl)piperidine-4-carboxamide
• Synonyms: N-(3-hydroxypropyl)piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD08443368
• PubChem SID: 164313363
• PubChem CID: 3612729

CALCULATED PROPERTIES

• Acid pKa: 15.670787
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.5591493
• LogD (pH = 7.4): -3.9747205
• Log P: -1.3331766
• Molar Refractivity: 50.9519 cm^3
• Polarizability: 19.94658 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.525

Product Information

• Purity: 95%