1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one

C10H17F3N2O — CID 175475704

IUPAC1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one
SMILESCC1NC(C(F)(F)F)CN(C(C)(C)C)C1=O
InChIInChI=1S/C10H17F3N2O/c1-6-8(16)15(9(2,3)4)5-7(14-6)10(11,12)13/h6-7,14H,5H2,1-4H3
InChIKeyANVFHRHBMHFTLH-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.54
Rot. Bonds

About 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one

1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one (PubChem CID 175475704) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one
PubChem CID175475704
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one
SMILESCC1NC(C(F)(F)F)CN(C(C)(C)C)C1=O
InChIInChI=1S/C10H17F3N2O/c1-6-8(16)15(9(2,3)4)5-7(14-6)10(11,12)13/h6-7,14H,5H2,1-4H3
InChIKeyANVFHRHBMHFTLH-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one (CID 175475704) is 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one is CC1NC(C(F)(F)F)CN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is ANVFHRHBMHFTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6-8(16)15(9(2,3)4)5-7(14-6)10(11,12)13/h6-7,14H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one?
1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 238.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 175475704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).