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

C13H19FN2 — CID 64938636

IUPAC2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
SMILESCCC1CNCCN1c1cc(C)ccc1F
InChIInChI=1S/C13H19FN2/c1-3-11-9-15-6-7-16(11)13-8-10(2)4-5-12(13)14/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyKAXSKYYWOHBNDV-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.32
Rot. Bonds2

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

2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine (PubChem CID 64938636) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
PubChem CID64938636
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
SMILESCCC1CNCCN1c1cc(C)ccc1F
InChIInChI=1S/C13H19FN2/c1-3-11-9-15-6-7-16(11)13-8-10(2)4-5-12(13)14/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyKAXSKYYWOHBNDV-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-ethylpiperazine
CID 64931290
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 64933076
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethylpiperazine
CID 64939190
(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
CID 23402415
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
2-ethyl-1-(2-methyl-3-pyridinyl)piperazine
CID 79044286
1-(2,5-diethoxyphenyl)-2-ethylpiperazine
CID 64937870
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
CID 81287006
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626679

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine?
The IUPAC name of 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine (CID 64938636) is 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine?
The canonical SMILES for 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine is CCC1CNCCN1c1cc(C)ccc1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine?
The InChIKey is KAXSKYYWOHBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-11-9-15-6-7-16(11)13-8-10(2)4-5-12(13)14/h4-5,8,11,15H,3,6-7,9H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine?
2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine has a molecular weight of 222.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine is sourced from PubChem (CID 64938636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).