4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one

C12H12ClF3N2O — CID 115101451

IUPAC4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccccc2Cl)C(C(F)(F)F)CN1
InChIInChI=1S/C12H12ClF3N2O/c13-9-4-2-1-3-8(9)6-18-7-11(19)17-5-10(18)12(14,15)16/h1-4,10H,5-7H2,(H,17,19)
InChIKeyIBFQPXVWRPHHHB-UHFFFAOYSA-N
MW292.69 g/mol
LogP2.20
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one

4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101451) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101451
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccccc2Cl)C(C(F)(F)F)CN1
InChIInChI=1S/C12H12ClF3N2O/c13-9-4-2-1-3-8(9)6-18-7-11(19)17-5-10(18)12(14,15)16/h1-4,10H,5-7H2,(H,17,19)
InChIKeyIBFQPXVWRPHHHB-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-hydroxyphenyl)methyl]-5-(trifluoromethyl)piperazin-2-one
CID 115101452
4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one
CID 115101362
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64862053
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839733
2-[[2-(trifluoromethyl)-1,4-diazepan-1-yl]methyl]phenol
CID 115101714
1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione
CID 64882792
5-tert-butyl-1-[(2-chlorophenyl)methyl]-2-methylpiperazine
CID 64842975
6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 78236622
3-[(2-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726677
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439604
1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
CID 71432641

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one (CID 115101451) is 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one is O=C1CN(Cc2ccccc2Cl)C(C(F)(F)F)CN1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is IBFQPXVWRPHHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c13-9-4-2-1-3-8(9)6-18-7-11(19)17-5-10(18)12(14,15)16/h1-4,10H,5-7H2,(H,17,19).
What are the key properties of 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one?
4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 292.69 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).