5-(piperidin-1-yl)pentan-1-ol

• ChemBase ID: 52581
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: N1(CCCCC1)CCCCCO
• Canonical SMILES: OCCCCCN1CCCCC1
• InChI: InChI=1S/C10H21NO/c12-10-6-2-5-9-11-7-3-1-4-8-11/h12H,1-10H2
• InChIKey: GEPOCRCIIKQXSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-yl)pentan-1-ol
• IUPAC Traditional name: 5-(piperidin-1-yl)pentan-1-ol
• Synonyms: 1-Piperidinepentanol

Database IDs

• CAS Number: 2937-83-9
• MDL Number: MFCD03093640
• PubChem SID: 162057344
• PubChem CID: 566537

CALCULATED PROPERTIES

• Acid pKa: 16.843914
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0674586
• LogD (pH = 7.4): -1.0130751
• Log P: 1.3723247
• Molar Refractivity: 52.5334 cm^3
• Polarizability: 20.570166 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%