3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one

C11H18F3NO — CID 79395479

IUPAC3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-8(2)10(16)7-15-5-3-9(4-6-15)11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyDHYSUVFRYJHLAH-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.49
Rot. Bonds3

About 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one

3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one (PubChem CID 79395479) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one
PubChem CID79395479
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-8(2)10(16)7-15-5-3-9(4-6-15)11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyDHYSUVFRYJHLAH-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethan-1-one hydrochloride
CID 112756476
Ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one
CID 178102262
2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-one
CID 57674782
1-(4-Tert-butyl-3-fluoropiperidin-1-yl)propan-2-one
CID 58391468
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 59151774
1-Methyl-4-(2,2,2-trifluoroacetyl)piperidin-3-one
CID 59774449
4-(4,4-Difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 59854574
1-(4,4-Difluoropiperidin-1-yl)propan-2-one
CID 59854609
1-[3-(Trifluoromethyl)piperidin-1-yl]propan-2-one
CID 60650596
1-[4-(Trifluoromethyl)piperidin-1-yl]butan-2-one
CID 65539032
1-[4-(Trifluoromethyl)piperidin-1-yl]propan-2-one
CID 65539035
3,3,3-Trifluoro-1-(4-methylpiperidin-1-yl)propane-1,2-dione
CID 71114233

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one (CID 79395479) is 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one is CC(C)C(=O)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one?
The InChIKey is DHYSUVFRYJHLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-8(2)10(16)7-15-5-3-9(4-6-15)11(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one?
3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one is sourced from PubChem (CID 79395479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).