5-(piperidin-1-yl)pentanoic acid hydrochloride

• ChemBase ID: 273145
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: N1(CCCCC(=O)O)CCCCC1.Cl
• Canonical SMILES: OC(=O)CCCCN1CCCCC1.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c12-10(13)6-2-5-9-11-7-3-1-4-8-11;/h1-9H2,(H,12,13);1H
• InChIKey: DHPWBXBFXOJSNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-yl)pentanoic acid hydrochloride
• IUPAC Traditional name: 5-(piperidin-1-yl)pentanoic acid hydrochloride
• Synonyms: 5-(piperidin-1-yl)pentanoic acid hydrochloride

Database IDs

• MDL Number: MFCD18483274
• PubChem SID: 164329055
• PubChem CID: 54592761

CALCULATED PROPERTIES

• Acid pKa: 4.5832396
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2804797
• LogD (pH = 7.4): -1.2420442
• Log P: -1.2417246
• Molar Refractivity: 52.2701 cm^3
• Polarizability: 20.459267 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202 - 204°C
• Hydrophobicity(logP): -0.719

Product Information

• Purity: 95%