(4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

C14H22F3NO2 — CID 114501377

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CN(C(=O)C2CCCCC2C(F)(F)F)CCC1O
InChIInChI=1S/C14H22F3NO2/c1-9-8-18(7-6-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyHASRBZKXPFIDPV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.58
Rot. Bonds1

About (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

(4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 114501377) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID114501377
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CN(C(=O)C2CCCCC2C(F)(F)F)CCC1O
InChIInChI=1S/C14H22F3NO2/c1-9-8-18(7-6-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyHASRBZKXPFIDPV-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1,1-Difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone
CID 123326774
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
[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-Hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 80706837
(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
(3-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932388

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 114501377) is (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is CC1CN(C(=O)C2CCCCC2C(F)(F)F)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is HASRBZKXPFIDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-9-8-18(7-6-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12,19H,2-8H2,1H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 293.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 114501377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).