(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone

C18H22F3NO3 — CID 139005892

IUPAC(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCC(O)(C1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1)C(F)(F)F
InChIInChI=1S/C18H22F3NO3/c1-16(24,18(19,20)21)14-6-8-22(9-7-14)15(23)17(25)10-12-4-2-3-5-13(12)11-17/h2-5,14,24-25H,6-11H2,1H3
InChIKeyYFKNRJCLXWQPNA-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.07
Rot. Bonds2

About (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone

(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone (PubChem CID 139005892) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
PubChem CID139005892
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Name(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCC(O)(C1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1)C(F)(F)F
InChIInChI=1S/C18H22F3NO3/c1-16(24,18(19,20)21)14-6-8-22(9-7-14)15(23)17(25)10-12-4-2-3-5-13(12)11-17/h2-5,14,24-25H,6-11H2,1H3
InChIKeyYFKNRJCLXWQPNA-UHFFFAOYSA-N
XLogP2.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-((R)-3,3-Difluoro-cyclopentyl)-1-[4-(2-dimethylamino-ethyl)-piperidin-1-yl]-2-hydroxy-2-phenyl-ethanone
CID 44308799
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71856932
(2-Hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
CID 71874541
(2-Hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 71925445
[3-Hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 71865133
(2-Hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 71925528
1-(4-Acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone
CID 23282926
(2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
CID 54282417
2-Cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 173150593
5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
CID 175836341
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 20637717
4,4,4-trifluoro-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125394

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone (CID 139005892) is (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone is CC(O)(C1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1)C(F)(F)F.
What is the InChIKey of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The InChIKey is YFKNRJCLXWQPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3/c1-16(24,18(19,20)21)14-6-8-22(9-7-14)15(23)17(25)10-12-4-2-3-5-13(12)11-17/h2-5,14,24-25H,6-11H2,1H3.
What are the key properties of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone has a molecular weight of 357.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139005892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).