piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone

C12H13F3N2O — CID 16769329

IUPACpiperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-2-9(8-10)11(18)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2
InChIKeyDLUXDOKFRWDPBN-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.75
Rot. Bonds1

About piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone

piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 16769329) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID16769329
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Namepiperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-2-9(8-10)11(18)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2
InChIKeyDLUXDOKFRWDPBN-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone (CID 16769329) is piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is DLUXDOKFRWDPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-2-9(8-10)11(18)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2.
What are the key properties of piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 258.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 16769329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).