1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine

C16H24F2N2 — CID 64841727

IUPAC1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1cccc(F)c1F
InChIInChI=1S/C16H24F2N2/c1-3-6-14-9-19-13(4-2)11-20(14)10-12-7-5-8-15(17)16(12)18/h5,7-8,13-14,19H,3-4,6,9-11H2,1-2H3
InChIKeyMCNNCRRJHSIOGI-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.32
Rot. Bonds5

About 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine

1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine (PubChem CID 64841727) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
PubChem CID64841727
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1cccc(F)c1F
InChIInChI=1S/C16H24F2N2/c1-3-6-14-9-19-13(4-2)11-20(14)10-12-7-5-8-15(17)16(12)18/h5,7-8,13-14,19H,3-4,6,9-11H2,1-2H3
InChIKeyMCNNCRRJHSIOGI-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832129
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine
CID 114349572
1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 106273342
1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64842505
1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 64845681
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
CID 64842896
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
5-tert-butyl-1-[(2-methylphenyl)methyl]-2-propylpiperazine
CID 64841050
1-[(5-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 103050719
1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine
CID 64979145
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine (CID 64841727) is 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine is CCCC1CNC(CC)CN1Cc1cccc(F)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The InChIKey is MCNNCRRJHSIOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-3-6-14-9-19-13(4-2)11-20(14)10-12-7-5-8-15(17)16(12)18/h5,7-8,13-14,19H,3-4,6,9-11H2,1-2H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine has a molecular weight of 282.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine is sourced from PubChem (CID 64841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).