2-(3,4-difluorophenyl)-1-ethylpiperazine

C12H16F2N2 — CID 67591073

IUPAC2-(3,4-difluorophenyl)-1-ethylpiperazine
SMILESCCN1CCNCC1c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2/c1-2-16-6-5-15-8-12(16)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,2,5-6,8H2,1H3
InChIKeyIWBCDOITCBSFKP-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.93
Rot. Bonds2

About 2-(3,4-difluorophenyl)-1-ethylpiperazine

2-(3,4-difluorophenyl)-1-ethylpiperazine (PubChem CID 67591073) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-ethylpiperazine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-ethylpiperazine
PubChem CID67591073
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2-(3,4-difluorophenyl)-1-ethylpiperazine
SMILESCCN1CCNCC1c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2/c1-2-16-6-5-15-8-12(16)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,2,5-6,8H2,1H3
InChIKeyIWBCDOITCBSFKP-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-ethylpiperazine
CID 82305436
4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline
CID 82290415
1-ethyl-2-(5-methylthiophen-2-yl)piperazine
CID 82673248
2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
CID 82924877
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine
CID 70136944
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
ethane;1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfinyl]phenyl]piperazine
CID 70136304
1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine
CID 120846597
1-ethyl-2-(1H-imidazol-2-yl)piperazine
CID 82668736
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-ethylpiperazine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-ethylpiperazine (CID 67591073) is 2-(3,4-difluorophenyl)-1-ethylpiperazine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-ethylpiperazine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-ethylpiperazine is CCN1CCNCC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-ethylpiperazine?
The InChIKey is IWBCDOITCBSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-2-16-6-5-15-8-12(16)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,2,5-6,8H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-ethylpiperazine?
2-(3,4-difluorophenyl)-1-ethylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-ethylpiperazine is sourced from PubChem (CID 67591073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).