(4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

C13H20F3NO2 — CID 112684956

IUPAC(4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h9-11,18H,1-8H2
InChIKeyAWGDFHOIJUUCKO-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.34
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

(4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 112684956) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID112684956
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name(4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h9-11,18H,1-8H2
InChIKeyAWGDFHOIJUUCKO-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
Cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039119
[4-(2-Hydroxypropyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 56779919
[4-(2-Hydroxybutyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 56781860
[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71922607
[4-(Hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81646522
[3-(Hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932141
(4,4-Difluorocyclohexyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 81932182
[4-(Hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932251
[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]methanol
CID 81932288
(4-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932317
(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 112684956) is (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is AWGDFHOIJUUCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h9-11,18H,1-8H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 279.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 112684956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).