1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C11H15F6NO2 — CID 103310265

IUPAC1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)CCC1O
InChIInChI=1S/C11H15F6NO2/c1-2-6-5-18(4-3-7(6)19)9(20)8(10(12,13)14)11(15,16)17/h6-8,19H,2-5H2,1H3
InChIKeyYYDRYTFPHSYREJ-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103310265) has the molecular formula C11H15F6NO2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103310265
Molecular FormulaC11H15F6NO2
Molecular Weight307.23 g/mol
Exact Mass307.10
IUPAC Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)CCC1O
InChIInChI=1S/C11H15F6NO2/c1-2-6-5-18(4-3-7(6)19)9(20)8(10(12,13)14)11(15,16)17/h6-8,19H,2-5H2,1H3
InChIKeyYYDRYTFPHSYREJ-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 155470023
1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310372
3,3,3-trifluoro-1-(3-hydroxyazetidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 103310173
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311097
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103308959
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956
(2S)-2-chloro-1-[(3S,4S)-3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 129497278

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103310265) is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is CCC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)CCC1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is YYDRYTFPHSYREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO2/c1-2-6-5-18(4-3-7(6)19)9(20)8(10(12,13)14)11(15,16)17/h6-8,19H,2-5H2,1H3.
What are the key properties of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 307.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103310265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).