1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone

C9H15F3N2O — CID 28596000

IUPAC1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-13-6-8(15)14-4-2-1-3-5-14/h13H,1-7H2
InChIKeyCXVALMQRGSWQIK-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds3

About 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone

1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 28596000) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID28596000
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-13-6-8(15)14-4-2-1-3-5-14/h13H,1-7H2
InChIKeyCXVALMQRGSWQIK-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
CID 63226480
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261520
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
CID 78914745
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
1-(azepan-1-yl)-2-(2,2,2-trifluoroethoxyamino)ethanone
CID 82721281
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone (CID 28596000) is 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is CXVALMQRGSWQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)7-13-6-8(15)14-4-2-1-3-5-14/h13H,1-7H2.
What are the key properties of 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 224.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 28596000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).