1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C10H14F6N2O — CID 103310372

IUPAC1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1N
InChIInChI=1S/C10H14F6N2O/c1-5-2-3-18(4-6(5)17)8(19)7(9(11,12)13)10(14,15)16/h5-7H,2-4,17H2,1H3
InChIKeyFGJQOFBXDPMPDK-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.92
Rot. Bonds1

About 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103310372) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103310372
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1N
InChIInChI=1S/C10H14F6N2O/c1-5-2-3-18(4-6(5)17)8(19)7(9(11,12)13)10(14,15)16/h5-7H,2-4,17H2,1H3
InChIKeyFGJQOFBXDPMPDK-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 131320738
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310265
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956
3,3,3-trifluoro-1-(3-hydroxyazetidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 103310173
1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 155470023
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 130934837
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311097
1-[(3S)-3-aminopyrrolidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119934179
(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
CID 64767643
(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629082

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103310372) is 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is CC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1N.
What is the InChIKey of 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is FGJQOFBXDPMPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c1-5-2-3-18(4-6(5)17)8(19)7(9(11,12)13)10(14,15)16/h5-7H,2-4,17H2,1H3.
What are the key properties of 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 292.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103310372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).