5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one

C11H18F3NO — CID 116569494

IUPAC5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one
SMILESCC1(C(=O)CCCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H18F3NO/c1-10(5-3-7-15-8-10)9(16)4-2-6-11(12,13)14/h15H,2-8H2,1H3
InChIKeyKCDGDRMNBGWGKG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.68
Rot. Bonds4

About 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one

5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one (PubChem CID 116569494) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one
PubChem CID116569494
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one
SMILESCC1(C(=O)CCCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H18F3NO/c1-10(5-3-7-15-8-10)9(16)4-2-6-11(12,13)14/h15H,2-8H2,1H3
InChIKeyKCDGDRMNBGWGKG-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-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

2,6-Ditertiarybutylpiperidine-4-one
CID 59253684
2,6-Ditert-butyl-3-methylpiperidin-4-one
CID 76311861
1-(4-Fluoropiperidin-4-yl)hexan-1-one
CID 66633547
1,1-Difluoro-1-piperidin-4-ylpropan-2-one
CID 105436777
2,2-Dimethyl-1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 121368340
1-(5,5-Difluoropiperidin-3-yl)ethanone
CID 121485777
1-[4-(3-Fluoropropyl)piperidin-4-yl]ethanone
CID 145418526
1-[4-(Trifluoromethyl)piperidin-4-yl]propan-1-one
CID 146551401
1-[4-(2,2-Difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
CID 146551408
2-Methyl-1-[3-(trifluoromethyl)piperidin-3-yl]propan-1-one
CID 146551445
1-(4,4-Difluoropiperidin-3-yl)-2-methylpropan-1-one
CID 146551835
1-[3-(2,2-Difluoroethyl)piperidin-3-yl]-2-methylpropan-1-one
CID 146551836

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one (CID 116569494) is 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one is CC1(C(=O)CCCC(F)(F)F)CCCNC1.
What is the InChIKey of 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one?
The InChIKey is KCDGDRMNBGWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(5-3-7-15-8-10)9(16)4-2-6-11(12,13)14/h15H,2-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one?
5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one is sourced from PubChem (CID 116569494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).