1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one

C8H13F3N2O — CID 16776828

IUPAC1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESNC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-7(14)13-3-1-6(12)2-4-13/h6H,1-5,12H2
InChIKeyXVECYUUVEDNTHB-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.89
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one

1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 16776828) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
PubChem CID16776828
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESNC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-7(14)13-3-1-6(12)2-4-13/h6H,1-5,12H2
InChIKeyXVECYUUVEDNTHB-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 119373587
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
1-(3-chloropyrrolidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 63397799
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 114801279
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447
2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one
CID 86779760
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119637247
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
1-[4-(azetidin-3-yl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 66203303
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119410017

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one (CID 16776828) is 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one is NC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is XVECYUUVEDNTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)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)-3,3,3-trifluoropropan-1-one?
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 210.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 16776828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).