4-hydroxypiperidine-1-carbaldehyde

• ChemBase ID: 246637
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: N1(C=O)CCC(CC1)O
• Canonical SMILES: O=CN1CCC(CC1)O
• InChI: InChI=1S/C6H11NO2/c8-5-7-3-1-6(9)2-4-7/h5-6,9H,1-4H2
• InChIKey: OXCVNPHTSWKTBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxypiperidine-1-carbaldehyde
• IUPAC Traditional name: 4-hydroxypiperidine-1-carbaldehyde
• Synonyms: 4-hydroxypiperidine-1-carbaldehyde

Database IDs

• MDL Number: MFCD09754442
• PubChem SID: 164302547
• PubChem CID: 15172743

CALCULATED PROPERTIES

• Molar Refractivity: 33.4931 cm^3
• Polarizability: 12.922368 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 15.177616
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3135766
• LogD (pH = 7.4): -1.3135754
• Log P: -1.3135753

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.052

Product Information

• Purity: 95%