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

C14H22F3NO2 — CID 102958800

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1O
InChIInChI=1S/C14H22F3NO2/c1-9-6-7-18(8-12(9)19)13(20)10-2-4-11(5-3-10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyBWZVPIVCZUOATH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.58
Rot. Bonds1

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

(3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 102958800) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID102958800
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1O
InChIInChI=1S/C14H22F3NO2/c1-9-6-7-18(8-12(9)19)13(20)10-2-4-11(5-3-10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyBWZVPIVCZUOATH-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

N-[(2S)-2-hydroxypropyl]-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 97813441
(4-Ethylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 121516217
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
[(3R)-3-hydroxypiperidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126835510
(4,4-Difluorocyclohexyl)-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
CID 91524772
(4,4-difluorocyclohexyl)-[(4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 117884710
(4,4-difluorocyclohexyl)-[(4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 117884749
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 126716199
1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 139513592
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
[4-(Trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039347
[4-(trifluoromethyl)cyclohexyl]-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 166834289

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 102958800) is (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is CC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1O.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is BWZVPIVCZUOATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-9-6-7-18(8-12(9)19)13(20)10-2-4-11(5-3-10)14(15,16)17/h9-12,19H,2-8H2,1H3.
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(3-hydroxy-4-methylpiperidin-1-yl)-[4-(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 (3-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 102958800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).