2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine

C14H19F3N2 — CID 64940186

IUPAC2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCCC1CNC(C)(C)CN1c1cc(F)cc(F)c1F
InChIInChI=1S/C14H19F3N2/c1-4-10-7-18-14(2,3)8-19(10)12-6-9(15)5-11(16)13(12)17/h5-6,10,18H,4,7-8H2,1-3H3
InChIKeyVZMZJUZFOGBITG-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.07
Rot. Bonds2

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

2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine (PubChem CID 64940186) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine
PubChem CID64940186
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCCC1CNC(C)(C)CN1c1cc(F)cc(F)c1F
InChIInChI=1S/C14H19F3N2/c1-4-10-7-18-14(2,3)8-19(10)12-6-9(15)5-11(16)13(12)17/h5-6,10,18H,4,7-8H2,1-3H3
InChIKeyVZMZJUZFOGBITG-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.07
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

1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
1-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 107594261
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylpiperazine
CID 64935550
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941408
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
2-ethyl-1-[2-(methoxymethyl)phenyl]-5,5-dimethylpiperazine
CID 64946267
3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113
3,3-dimethyl-1-(2,3,5-trifluorophenyl)-1,4-diazepane
CID 64948984

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine (CID 64940186) is 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine is CCC1CNC(C)(C)CN1c1cc(F)cc(F)c1F.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine?
The InChIKey is VZMZJUZFOGBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-4-10-7-18-14(2,3)8-19(10)12-6-9(15)5-11(16)13(12)17/h5-6,10,18H,4,7-8H2,1-3H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine?
2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine has a molecular weight of 272.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine is sourced from PubChem (CID 64940186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).