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

C14H19F3N2O — CID 117465754

IUPAC1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCOc1c(CCN2CCNCC2)cccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-20-13-11(3-2-4-12(13)14(15,16)17)5-8-19-9-6-18-7-10-19/h2-4,18H,5-10H2,1H3
InChIKeyHCGSSZNZYLYMMQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.16
Rot. Bonds4

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

1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 117465754) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID117465754
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCOc1c(CCN2CCNCC2)cccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-20-13-11(3-2-4-12(13)14(15,16)17)5-8-19-9-6-18-7-10-19/h2-4,18H,5-10H2,1H3
InChIKeyHCGSSZNZYLYMMQ-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117466506
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
CID 117429080
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-(2-piperazin-1-ylethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 117468863
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865770
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine (CID 117465754) is 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine is COc1c(CCN2CCNCC2)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is HCGSSZNZYLYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-20-13-11(3-2-4-12(13)14(15,16)17)5-8-19-9-6-18-7-10-19/h2-4,18H,5-10H2,1H3.
What are the key properties of 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine?
1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 288.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117465754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).