1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine

C12H15F3N2 — CID 82478371

IUPAC1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
SMILESCC(c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2/c1-8(17-6-4-16-5-7-17)9-2-3-10(13)12(15)11(9)14/h2-3,8,16H,4-7H2,1H3
InChIKeyLPNVRNLXMYTSBF-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.07
Rot. Bonds2

About 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine

1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine (PubChem CID 82478371) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
PubChem CID82478371
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
SMILESCC(c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2/c1-8(17-6-4-16-5-7-17)9-2-3-10(13)12(15)11(9)14/h2-3,8,16H,4-7H2,1H3
InChIKeyLPNVRNLXMYTSBF-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2,3-difluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171166576
1-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]piperazine
CID 171169947
1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
CID 131320342
1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277985
1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 171179703
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
CID 171170223
2-chloro-3-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171297795
2-chloro-3-fluoro-6-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300275
1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290613
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909
(3R)-3-piperazin-1-yl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 171173703

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine (CID 82478371) is 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine is CC(c1ccc(F)c(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine?
The InChIKey is LPNVRNLXMYTSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-8(17-6-4-16-5-7-17)9-2-3-10(13)12(15)11(9)14/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine?
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine has a molecular weight of 244.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine is sourced from PubChem (CID 82478371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).