1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine

C15H22ClFN2 — CID 64934524

IUPAC1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-4-11-9-18-15(3,5-2)10-19(11)12-6-7-14(17)13(16)8-12/h6-8,11,18H,4-5,9-10H2,1-3H3
InChIKeyHPGTWUKVXAPHGE-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine

1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine (PubChem CID 64934524) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
PubChem CID64934524
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-4-11-9-18-15(3,5-2)10-19(11)12-6-7-14(17)13(16)8-12/h6-8,11,18H,4-5,9-10H2,1-3H3
InChIKeyHPGTWUKVXAPHGE-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64931968
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
CID 107640012
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
CID 64930171
6-(2,5-diethyl-5-methylpiperazin-1-yl)quinoline
CID 64941343
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
CID 66355426
1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
CID 107579892
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylpiperazine
CID 64935550
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933561
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
CID 64935551

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine (CID 64934524) is 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine is CCC1CNC(C)(CC)CN1c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
The InChIKey is HPGTWUKVXAPHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-4-11-9-18-15(3,5-2)10-19(11)12-6-7-14(17)13(16)8-12/h6-8,11,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine has a molecular weight of 284.81 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 64934524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).