4-[2-(2-propoxyethoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46427
• Molecular Formular: C12H26ClNO2
• Molecular Mass: 251.79334
• Monoisotopic Mass: 251.16520676
• SMILES: N1CCC(CCOCCOCCC)CC1.Cl
• Canonical SMILES: CCCOCCOCCC1CCNCC1.Cl
• InChI: InChI=1S/C12H25NO2.ClH/c1-2-8-14-10-11-15-9-5-12-3-6-13-7-4-12;/h12-13H,2-11H2,1H3;1H
• InChIKey: LEWNVFCTVMIGLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-propoxyethoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[2-(2-propoxyethoxy)ethyl]piperidine hydrochloride
• Synonyms: 4-[2-(2-Propoxyethoxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560314
• PubChem SID: 162051190
• PubChem CID: 56830020

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8037076
• LogD (pH = 7.4): -1.3473177
• Log P: 1.4278781
• Molar Refractivity: 62.981 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