1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone

C8H13F3N2OS — CID 119373587

IUPAC1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
SMILESNC1CCN(C(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-7(14)13-3-1-6(12)2-4-13/h6H,1-5,12H2
InChIKeyGSRUXGGJUPYGTP-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.19
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone

1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 119373587) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
PubChem CID119373587
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
SMILESNC1CCN(C(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-7(14)13-3-1-6(12)2-4-13/h6H,1-5,12H2
InChIKeyGSRUXGGJUPYGTP-UHFFFAOYSA-N
XLogP1.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119410017
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119622325
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone;hydrochloride
CID 119517514
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
CID 119374422
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
1-(4-aminopiperidin-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone;hydrochloride
CID 119376188
2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]sulfanyl-1-(4-chlorophenyl)ethanone
CID 119374206
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 120805665
1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone
CID 84669604
1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone
CID 39259440

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone (CID 119373587) is 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone is NC1CCN(C(=O)CSC(F)(F)F)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is GSRUXGGJUPYGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-7(14)13-3-1-6(12)2-4-13/h6H,1-5,12H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone?
1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 242.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 119373587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).