2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine

C16H23F3N2 — CID 64930985

IUPAC2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCC1CN(c2cccc(C(F)(F)F)c2)C(CC)CN1
InChIInChI=1S/C16H23F3N2/c1-3-6-13-11-21(14(4-2)10-20-13)15-8-5-7-12(9-15)16(17,18)19/h5,7-9,13-14,20H,3-4,6,10-11H2,1-2H3
InChIKeyUDYBKCVVHUAESG-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.06
Rot. Bonds4

About 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine

2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 64930985) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID64930985
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCC1CN(c2cccc(C(F)(F)F)c2)C(CC)CN1
InChIInChI=1S/C16H23F3N2/c1-3-6-13-11-21(14(4-2)10-20-13)15-8-5-7-12(9-15)16(17,18)19/h5,7-9,13-14,20H,3-4,6,10-11H2,1-2H3
InChIKeyUDYBKCVVHUAESG-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
5-ethyl-2-methyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930789
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64924394
1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64934860
3-(2,5-diethylpiperazin-1-yl)benzonitrile
CID 102819056
1-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64941210
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane
CID 70302468
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
3-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]piperazine
CID 70097382

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine (CID 64930985) is 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine is CCCC1CN(c2cccc(C(F)(F)F)c2)C(CC)CN1.
What is the InChIKey of 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is UDYBKCVVHUAESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-6-13-11-21(14(4-2)10-20-13)15-8-5-7-12(9-15)16(17,18)19/h5,7-9,13-14,20H,3-4,6,10-11H2,1-2H3.
What are the key properties of 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 64930985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).