5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine

C14H18F4N2 — CID 107646236

IUPAC5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine
SMILESCCC1(C)CN(c2c(F)c(F)cc(F)c2F)C(C)CN1
InChIInChI=1S/C14H18F4N2/c1-4-14(3)7-20(8(2)6-19-14)13-11(17)9(15)5-10(16)12(13)18/h5,8,19H,4,6-7H2,1-3H3
InChIKeyYWIPMNHUGMPAGF-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.21
Rot. Bonds2

About 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine

5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine (PubChem CID 107646236) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine
PubChem CID107646236
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine
SMILESCCC1(C)CN(c2c(F)c(F)cc(F)c2F)C(C)CN1
InChIInChI=1S/C14H18F4N2/c1-4-14(3)7-20(8(2)6-19-14)13-11(17)9(15)5-10(16)12(13)18/h5,8,19H,4,6-7H2,1-3H3
InChIKeyYWIPMNHUGMPAGF-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
CID 64935551
1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64934721
1-(2-chloro-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64936201
N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline
CID 64941181
5-ethyl-1-(2-ethylphenyl)-2,5-dimethylpiperazine
CID 64932411
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine
CID 116700921
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 64930940
1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine
CID 81267340
1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64849242
1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 107794409

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine?
The IUPAC name of 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine (CID 107646236) is 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine?
The canonical SMILES for 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine is CCC1(C)CN(c2c(F)c(F)cc(F)c2F)C(C)CN1.
What is the InChIKey of 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine?
The InChIKey is YWIPMNHUGMPAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-4-14(3)7-20(8(2)6-19-14)13-11(17)9(15)5-10(16)12(13)18/h5,8,19H,4,6-7H2,1-3H3.
What are the key properties of 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine?
5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine has a molecular weight of 290.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine is sourced from PubChem (CID 107646236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).