1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine

C14H20ClFN2 — CID 64934161

IUPAC1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2/c1-4-11-8-17-14(2,3)9-18(11)13-7-10(15)5-6-12(13)16/h5-7,11,17H,4,8-9H2,1-3H3
InChIKeyJAUINPBPBARBOY-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.45
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine

1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64934161) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
PubChem CID64934161
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2/c1-4-11-8-17-14(2,3)9-18(11)13-7-10(15)5-6-12(13)16/h5-7,11,17H,4,8-9H2,1-3H3
InChIKeyJAUINPBPBARBOY-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64940186
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941408
1-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 107594261
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylpiperazine
CID 64935550
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
CID 64948360
1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64948195

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine (CID 64934161) is 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is JAUINPBPBARBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-4-11-8-17-14(2,3)9-18(11)13-7-10(15)5-6-12(13)16/h5-7,11,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine?
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 270.78 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64934161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).