1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride

C12H17ClF2N2 — CID 67446886

IUPAC1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(CC(F)N2CCNCC2)cc1
InChIInChI=1S/C12H16F2N2.ClH/c13-11-3-1-10(2-4-11)9-12(14)16-7-5-15-6-8-16;/h1-4,12,15H,5-9H2;1H
InChIKeyUFMWDMFWHCDCIU-UHFFFAOYSA-N
MW262.73 g/mol
LogP1.99
Rot. Bonds3

About 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride

1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride (PubChem CID 67446886) has the molecular formula C12H17ClF2N2 and a molecular weight of 262.73 g/mol. Its IUPAC name is 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride
PubChem CID67446886
Molecular FormulaC12H17ClF2N2
Molecular Weight262.73 g/mol
Exact Mass262.10
IUPAC Name1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(CC(F)N2CCNCC2)cc1
InChIInChI=1S/C12H16F2N2.ClH/c13-11-3-1-10(2-4-11)9-12(14)16-7-5-15-6-8-16;/h1-4,12,15H,5-9H2;1H
InChIKeyUFMWDMFWHCDCIU-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[1-(4-fluorophenyl)propan-2-yl]-1,5-diazocane
CID 62992839
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
1-[(1S)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178788
1-[(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171275863
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171181869

Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride (CID 67446886) is 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride is Cl.Fc1ccc(CC(F)N2CCNCC2)cc1.
What is the InChIKey of 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride?
The InChIKey is UFMWDMFWHCDCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2.ClH/c13-11-3-1-10(2-4-11)9-12(14)16-7-5-15-6-8-16;/h1-4,12,15H,5-9H2;1H.
What are the key properties of 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride?
1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride has a molecular weight of 262.73 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 67446886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).