1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine

C15H20ClF3N2 — CID 64941408

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H20ClF3N2/c1-4-11-8-20-14(2,3)9-21(11)13-6-5-10(7-12(13)16)15(17,18)19/h5-7,11,20H,4,8-9H2,1-3H3
InChIKeyPDJKGNYLYUGSOU-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.33
Rot. Bonds2

About 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine

1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64941408) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID64941408
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H20ClF3N2/c1-4-11-8-20-14(2,3)9-21(11)13-6-5-10(7-12(13)16)15(17,18)19/h5-7,11,20H,4,8-9H2,1-3H3
InChIKeyPDJKGNYLYUGSOU-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64941210
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylpiperazine
CID 64935550
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066
5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline
CID 116785639
2-ethyl-5,5-dimethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64940186
1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64934860
2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64931968
1-(2,4-dichlorophenyl)-2,5,5-trimethylpiperazine
CID 64935835
1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine
CID 64926252

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine (CID 64941408) is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is PDJKGNYLYUGSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-4-11-8-20-14(2,3)9-21(11)13-6-5-10(7-12(13)16)15(17,18)19/h5-7,11,20H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine?
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 320.79 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64941408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).