3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one

C10H17F3N2O2 — CID 143767640

IUPAC3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCC(CO)C(=O)N1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(6-16)9(17)15-4-3-14(2)8(5-15)10(11,12)13/h7-8,16H,3-6H2,1-2H3
InChIKeyOFCOTPCLLJRCKQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.32
Rot. Bonds2

About 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one

3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (PubChem CID 143767640) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
PubChem CID143767640
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCC(CO)C(=O)N1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(6-16)9(17)15-4-3-14(2)8(5-15)10(11,12)13/h7-8,16H,3-6H2,1-2H3
InChIKeyOFCOTPCLLJRCKQ-UHFFFAOYSA-N
XLogP0.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (CID 143767640) is 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is CC(CO)C(=O)N1CCN(C)C(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The InChIKey is OFCOTPCLLJRCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(6-16)9(17)15-4-3-14(2)8(5-15)10(11,12)13/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 143767640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).