4-(2-propoxyethoxy)piperidine hydrochloride

• ChemBase ID: 47158
• Molecular Formular: C10H22ClNO2
• Molecular Mass: 223.74018
• Monoisotopic Mass: 223.13390663
• SMILES: N1CCC(CC1)OCCOCCC.Cl
• Canonical SMILES: CCCOCCOC1CCNCC1.Cl
• InChI: InChI=1S/C10H21NO2.ClH/c1-2-7-12-8-9-13-10-3-5-11-6-4-10;/h10-11H,2-9H2,1H3;1H
• InChIKey: GELOXEGYSVXTBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561040
• PubChem SID: 162051921
• PubChem CID: 53409882

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6192725
• LogD (pH = 7.4): -1.9308655
• Log P: 0.60066247
• Molar Refractivity: 53.485 cm^3
• Polarizability: 21.329054 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false