2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine

C17H27FN2 — CID 64946133

IUPAC2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1c1cccc(F)c1C
InChIInChI=1S/C17H27FN2/c1-5-14-11-19-17(6-2,7-3)12-20(14)16-10-8-9-15(18)13(16)4/h8-10,14,19H,5-7,11-12H2,1-4H3
InChIKeyQCWDLRGKURLFPS-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.88
Rot. Bonds4

About 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine

2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine (PubChem CID 64946133) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
PubChem CID64946133
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1c1cccc(F)c1C
InChIInChI=1S/C17H27FN2/c1-5-14-11-19-17(6-2,7-3)12-20(14)16-10-8-9-15(18)13(16)4/h8-10,14,19H,5-7,11-12H2,1-4H3
InChIKeyQCWDLRGKURLFPS-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64946713
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline
CID 106760860
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
CID 64940782
N,N-dimethyl-3-(2,5,5-triethylpiperazin-1-yl)aniline
CID 115379242
2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64930564
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine?
The IUPAC name of 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine (CID 64946133) is 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine is CCC1CNC(CC)(CC)CN1c1cccc(F)c1C.
What is the InChIKey of 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine?
The InChIKey is QCWDLRGKURLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-14-11-19-17(6-2,7-3)12-20(14)16-10-8-9-15(18)13(16)4/h8-10,14,19H,5-7,11-12H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine?
2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine has a molecular weight of 278.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine is sourced from PubChem (CID 64946133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).