5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine

C17H27FN2 — CID 114349572

IUPAC5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1ccc(F)cc1C
InChIInChI=1S/C17H27FN2/c1-4-6-17-10-19-16(5-2)12-20(17)11-14-7-8-15(18)9-13(14)3/h7-9,16-17,19H,4-6,10-12H2,1-3H3
InChIKeyLUBBAZUAUONNIM-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.49
Rot. Bonds5

About 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine

5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine (PubChem CID 114349572) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine
PubChem CID114349572
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1ccc(F)cc1C
InChIInChI=1S/C17H27FN2/c1-4-6-17-10-19-16(5-2)12-20(17)11-14-7-8-15(18)9-13(14)3/h7-9,16-17,19H,4-6,10-12H2,1-3H3
InChIKeyLUBBAZUAUONNIM-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64841727
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
CID 114349594
1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64842505
2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349580
1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 106273342
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
CID 64842896
5-tert-butyl-1-[(2-methylphenyl)methyl]-2-propylpiperazine
CID 64841050
1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 114860324
5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
CID 82885141
1-[(5-fluoro-2-methylphenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 105375765
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine?
The IUPAC name of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine (CID 114349572) is 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine is CCCC1CNC(CC)CN1Cc1ccc(F)cc1C.
What is the InChIKey of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine?
The InChIKey is LUBBAZUAUONNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-6-17-10-19-16(5-2)12-20(17)11-14-7-8-15(18)9-13(14)3/h7-9,16-17,19H,4-6,10-12H2,1-3H3.
What are the key properties of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine?
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 114349572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).