2-(piperidin-4-yl)acetic acid hydrochloride

• ChemBase ID: 37137
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C(=O)(CC1CCNCC1)O.Cl
• Canonical SMILES: OC(=O)CC1CCNCC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h6,8H,1-5H2,(H,9,10);1H
• InChIKey: IYDUFJOXYMLYNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)acetic acid hydrochloride
• IUPAC Traditional name: piperidin-4-ylacetic acid hydrochloride
• Synonyms: 2-(Piperidin-4yl)acetic acid hydrochloride; Piperidin-4-ylacetic acid hydrochloride; 2-(Piperidin-4-yl)acetic acid hydrochloride; 4-PIPERIDINEACETIC ACID HYDROCHLORIDE

Database IDs

• CAS Number: 51052-78-9; 73415-84-6
• MDL Number: MFCD03414187
• PubChem SID: 161000444
• PubChem CID: 15565775

CALCULATED PROPERTIES

• Acid pKa: 4.529456
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4388142
• LogD (pH = 7.4): -2.4033859
• Log P: -2.4038553
• Molar Refractivity: 37.6504 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%