3-(piperidin-4-yloxy)propan-1-ol

• ChemBase ID: 237292
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1CCC(CC1)OCCCO
• Canonical SMILES: OCCCOC1CCNCC1
• InChI: InChI=1S/C8H17NO2/c10-6-1-7-11-8-2-4-9-5-3-8/h8-10H,1-7H2
• InChIKey: XVUFXPAZEVAGIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yloxy)propan-1-ol
• IUPAC Traditional name: 3-(piperidin-4-yloxy)propan-1-ol
• Synonyms: 3-(piperidin-4-yloxy)propan-1-ol

Database IDs

• MDL Number: MFCD11104349
• PubChem SID: 164293202
• PubChem CID: 21440911

CALCULATED PROPERTIES

• Acid pKa: 15.89969
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0817695
• LogD (pH = 7.4): -3.3933637
• Log P: -0.86183465
• Molar Refractivity: 44.3266 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.813

Product Information

• Purity: 95%