2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine

C14H21FN2 — CID 64939128

IUPAC2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1ccc(F)c(C)c1
InChIInChI=1S/C14H21FN2/c1-4-12-8-16-11(3)9-17(12)13-5-6-14(15)10(2)7-13/h5-7,11-12,16H,4,8-9H2,1-3H3
InChIKeyDYPFYCCKNMUCKQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.71
Rot. Bonds2

About 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine

2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine (PubChem CID 64939128) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
PubChem CID64939128
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1ccc(F)c(C)c1
InChIInChI=1S/C14H21FN2/c1-4-12-8-16-11(3)9-17(12)13-5-6-14(15)10(2)7-13/h5-7,11-12,16H,4,8-9H2,1-3H3
InChIKeyDYPFYCCKNMUCKQ-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-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64938560
1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64936447
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
CID 64954262
2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
CID 114263238
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735
1-(5-bromo-2,4-difluorophenyl)-2-ethyl-5-methylpiperazine
CID 102855209
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine (CID 64939128) is 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine is CCC1CNC(C)CN1c1ccc(F)c(C)c1.
What is the InChIKey of 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine?
The InChIKey is DYPFYCCKNMUCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-12-8-16-11(3)9-17(12)13-5-6-14(15)10(2)7-13/h5-7,11-12,16H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine?
2-ethyl-1-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-methylpiperazine is sourced from PubChem (CID 64939128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).