3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one

C14H17F3N2O — CID 71724345

IUPAC3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one
SMILESCN1CCN(C)C(Cc2ccccc2)(C(F)(F)F)C1=O
InChIInChI=1S/C14H17F3N2O/c1-18-8-9-19(2)13(12(18)20,14(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyUDSBAUMSHSALJG-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.93
Rot. Bonds2

About 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one

3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one (PubChem CID 71724345) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one
PubChem CID71724345
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one
SMILESCN1CCN(C)C(Cc2ccccc2)(C(F)(F)F)C1=O
InChIInChI=1S/C14H17F3N2O/c1-18-8-9-19(2)13(12(18)20,14(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyUDSBAUMSHSALJG-UHFFFAOYSA-N
XLogP1.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one (CID 71724345) is 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one is CN1CCN(C)C(Cc2ccccc2)(C(F)(F)F)C1=O.
What is the InChIKey of 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one?
The InChIKey is UDSBAUMSHSALJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-18-8-9-19(2)13(12(18)20,14(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one?
3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one has a molecular weight of 286.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,4-dimethyl-3-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 71724345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).