2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C14H17F3N2O2 — CID 807913

IUPAC2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O2/c1-21-10-13(20)19-7-5-18(6-8-19)12-4-2-3-11(9-12)14(15,16)17/h2-4,9H,5-8,10H2,1H3
InChIKeyRCALNOLTCUTVTN-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.00
Rot. Bonds3

About 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 807913) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID807913
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O2/c1-21-10-13(20)19-7-5-18(6-8-19)12-4-2-3-11(9-12)14(15,16)17/h2-4,9H,5-8,10H2,1H3
InChIKeyRCALNOLTCUTVTN-UHFFFAOYSA-N
XLogP2.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 807913) is 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is RCALNOLTCUTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-21-10-13(20)19-7-5-18(6-8-19)12-4-2-3-11(9-12)14(15,16)17/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 302.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 807913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).