2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C12H19F3N2O — CID 24744899

IUPAC2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(N1CCC(N2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2
InChIKeyDQAGGGYIGDZVEV-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.03
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 24744899) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID24744899
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(N1CCC(N2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2
InChIKeyDQAGGGYIGDZVEV-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 103733241
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
1-(4-ethynylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 126598063
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 24744899) is 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is O=C(N1CCC(N2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is DQAGGGYIGDZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2.
What are the key properties of 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 264.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 24744899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).