4-(piperidin-1-yl)butan-1-ol

• ChemBase ID: 292245
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: OCCCCN1CCCCC1
• Canonical SMILES: OCCCCN1CCCCC1
• InChI: InChI=1S/C9H19NO/c11-9-5-4-8-10-6-2-1-3-7-10/h11H,1-9H2
• InChIKey: YRISKTNAYHHICR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)butan-1-ol
• IUPAC Traditional name: 4-(piperidin-1-yl)butan-1-ol
• Synonyms: 4-(Piperidin-1-yl)butan-1-ol; 4-piperidin-1-ylbutan-1-ol

Database IDs

• CAS Number: 4672-11-1
• MDL Number: MFCD03211282; MFCD03094792
• PubChem SID: 180677776
• PubChem CID: 418943

CALCULATED PROPERTIES

• Acid pKa: 15.972566
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4909892
• LogD (pH = 7.4): -1.3289975
• Log P: 0.927756
• Molar Refractivity: 47.9324 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%