2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine

C16H25FN2 — CID 64931265

IUPAC2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1cc(F)ccc1C
InChIInChI=1S/C16H25FN2/c1-5-14-10-18-16(4,6-2)11-19(14)15-9-13(17)8-7-12(15)3/h7-9,14,18H,5-6,10-11H2,1-4H3
InChIKeyCOVHVZGRSIUHHX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.49
Rot. Bonds3

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

2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine (PubChem CID 64931265) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
PubChem CID64931265
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1cc(F)ccc1C
InChIInChI=1S/C16H25FN2/c1-5-14-10-18-16(4,6-2)11-19(14)15-9-13(17)8-7-12(15)3/h7-9,14,18H,5-6,10-11H2,1-4H3
InChIKeyCOVHVZGRSIUHHX-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
The IUPAC name of 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine (CID 64931265) is 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine.
What is the SMILES notation for 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
The canonical SMILES for 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine is CCC1CNC(C)(CC)CN1c1cc(F)ccc1C.
What is the InChIKey of 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
The InChIKey is COVHVZGRSIUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-14-10-18-16(4,6-2)11-19(14)15-9-13(17)8-7-12(15)3/h7-9,14,18H,5-6,10-11H2,1-4H3.
What are the key properties of 2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine?
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.49, 3 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)-5-methylpiperazine is sourced from PubChem (CID 64931265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).