2-[2-(2-propoxyethoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46429
• Molecular Formular: C12H26ClNO2
• Molecular Mass: 251.79334
• Monoisotopic Mass: 251.16520676
• SMILES: N1C(CCOCCOCCC)CCCC1.Cl
• Canonical SMILES: CCCOCCOCCC1CCCCN1.Cl
• InChI: InChI=1S/C12H25NO2.ClH/c1-2-8-14-10-11-15-9-6-12-5-3-4-7-13-12;/h12-13H,2-11H2,1H3;1H
• InChIKey: YZPOBVGEAGAXMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-propoxyethoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 2-[2-(2-propoxyethoxy)ethyl]piperidine hydrochloride
• Synonyms: 2-[2-(2-Propoxyethoxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560316
• PubChem SID: 162051192
• PubChem CID: 56830024

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6689712
• LogD (pH = 7.4): -1.2120283
• Log P: 1.5625938
• Molar Refractivity: 62.7306 cm^3
• Polarizability: 25.012548 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false