2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine

C16H25FN2 — CID 64952890

IUPAC2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1cc(C)ccc1F
InChIInChI=1S/C16H25FN2/c1-5-13-9-18-15(11(2)3)10-19(13)16-8-12(4)6-7-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyFLNRHNVZOHJGHS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds3

About 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine

2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine (PubChem CID 64952890) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
PubChem CID64952890
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1cc(C)ccc1F
InChIInChI=1S/C16H25FN2/c1-5-13-9-18-15(11(2)3)10-19(13)16-8-12(4)6-7-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyFLNRHNVZOHJGHS-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64938636
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952707
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine (CID 64952890) is 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1c1cc(C)ccc1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine?
The InChIKey is FLNRHNVZOHJGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-13-9-18-15(11(2)3)10-19(13)16-8-12(4)6-7-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine?
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 3 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)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64952890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).