2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine

C14H21FN2 — CID 64954694

IUPAC2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1cc(F)ccc1C
InChIInChI=1S/C14H21FN2/c1-4-13-8-16-11(3)9-17(13)14-7-12(15)6-5-10(14)2/h5-7,11,13,16H,4,8-9H2,1-3H3
InChIKeyXUOBHFODLWURFP-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.71
Rot. Bonds2

About 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine

2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine (PubChem CID 64954694) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
PubChem CID64954694
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1cc(F)ccc1C
InChIInChI=1S/C14H21FN2/c1-4-13-8-16-11(3)9-17(13)14-7-12(15)6-5-10(14)2/h5-7,11,13,16H,4,8-9H2,1-3H3
InChIKeyXUOBHFODLWURFP-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128
1-(5-bromo-2,4-difluorophenyl)-2-ethyl-5-methylpiperazine
CID 102855209
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64938560
2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
CID 114263238
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 114002209
2-ethyl-1-[2-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64936592
5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
CID 64947856
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine (CID 64954694) is 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine is CCC1CNC(C)CN1c1cc(F)ccc1C.
What is the InChIKey of 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
The InChIKey is XUOBHFODLWURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-13-8-16-11(3)9-17(13)14-7-12(15)6-5-10(14)2/h5-7,11,13,16H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine is sourced from PubChem (CID 64954694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).