4-(2-fluoroethoxy)piperidine hydrochloride

• ChemBase ID: 47094
• Molecular Formular: C7H15ClFNO
• Molecular Mass: 183.6515032
• Monoisotopic Mass: 183.08262001
• SMILES: N1CCC(CC1)OCCF.Cl
• Canonical SMILES: FCCOC1CCNCC1.Cl
• InChI: InChI=1S/C7H14FNO.ClH/c8-3-6-10-7-1-4-9-5-2-7;/h7,9H,1-6H2;1H
• InChIKey: QNZDRHCWPACGQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluoroethoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-fluoroethoxy)piperidine hydrochloride
• Synonyms: 2-Fluoroethyl 4-piperidinyl ether hydrochloride

Database IDs

• MDL Number: MFCD13560977
• PubChem SID: 162051857
• PubChem CID: 55280235

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2506375
• LogD (pH = 7.4): -2.5622306
• Log P: -0.030702613
• Molar Refractivity: 37.7691 cm^3
• Polarizability: 14.835585 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false