ethyl 2-(piperidin-4-yl)acetate hydrochloride

• ChemBase ID: 63735
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: CCOC(=O)CC1CCNCC1.Cl
• Canonical SMILES: CCOC(=O)CC1CCNCC1.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)7-8-3-5-10-6-4-8;/h8,10H,2-7H2,1H3;1H
• InChIKey: RBESFTPUTXOFCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(piperidin-4-yl)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(piperidin-4-yl)acetate hydrochloride
• Synonyms: Ethyl 2-(4-piperidyl)acetate hydrochloride; Ethyl 2-(piperidin-4-yl)acetate hydrochloride; PIPERIDIN-4-YL-ACETIC ACID ETHYL ESTER HYDROCHLORIDE

Database IDs

• CAS Number: 169458-04-2
• MDL Number: MFCD08703262
• PubChem SID: 162029474
• PubChem CID: 45358839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6600242
• LogD (pH = 7.4): -2.2029438
• Log P: 0.57153565
• Molar Refractivity: 47.1681 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%