2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone

C11H17F3N4O — CID 169137651

IUPAC2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCN1C=C(CC2CCCCN2C(=O)C(F)(F)F)NN1
InChIInChI=1S/C11H17F3N4O/c1-17-7-8(15-16-17)6-9-4-2-3-5-18(9)10(19)11(12,13)14/h7,9,15-16H,2-6H2,1H3
InChIKeyUDVZYPFHDMSSGI-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.12
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 169137651) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone
PubChem CID169137651
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCN1C=C(CC2CCCCN2C(=O)C(F)(F)F)NN1
InChIInChI=1S/C11H17F3N4O/c1-17-7-8(15-16-17)6-9-4-2-3-5-18(9)10(19)11(12,13)14/h7,9,15-16H,2-6H2,1H3
InChIKeyUDVZYPFHDMSSGI-UHFFFAOYSA-N
XLogP1.12
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 162620815
[(2R)-1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methylperoxythallium
CID 142455278
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
CID 61372651
2-bromo-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 114329119
1-[4-[2-[(2,5-dimethylphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110411251
1-[4-amino-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 154365639
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006809
1,1,1-trifluoro-4-pyrrolidin-1-ylbutan-2-one
CID 82534998
1-(2-ethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 4120910
2-bromo-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 107216575
1-(2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepin-4-yl)-2,2,2-trifluoroethanone
CID 178143561

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 169137651) is 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone is CN1C=C(CC2CCCCN2C(=O)C(F)(F)F)NN1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is UDVZYPFHDMSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-17-7-8(15-16-17)6-9-4-2-3-5-18(9)10(19)11(12,13)14/h7,9,15-16H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 278.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 169137651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).