2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine

C17H27FN2 — CID 105375725

IUPAC2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1Cc1cc(F)ccc1C
InChIInChI=1S/C17H27FN2/c1-5-16-10-19-17(4,6-2)12-20(16)11-14-9-15(18)8-7-13(14)3/h7-9,16,19H,5-6,10-12H2,1-4H3
InChIKeyOSRDUQHAODMUOY-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.49
Rot. Bonds4

About 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine

2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine (PubChem CID 105375725) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
PubChem CID105375725
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1Cc1cc(F)ccc1C
InChIInChI=1S/C17H27FN2/c1-5-16-10-19-17(4,6-2)12-20(16)11-14-9-15(18)8-7-13(14)3/h7-9,16,19H,5-6,10-12H2,1-4H3
InChIKeyOSRDUQHAODMUOY-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
CID 114349594
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083
1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 105375695
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64849242
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933561
2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64948112
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 64848478
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64849255

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine?
The IUPAC name of 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine (CID 105375725) is 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine is CCC1CNC(C)(CC)CN1Cc1cc(F)ccc1C.
What is the InChIKey of 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine?
The InChIKey is OSRDUQHAODMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-16-10-19-17(4,6-2)12-20(16)11-14-9-15(18)8-7-13(14)3/h7-9,16,19H,5-6,10-12H2,1-4H3.
What are the key properties of 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine?
2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 105375725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).