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

C17H20F3NO3 — CID 139008581

IUPAC(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(O)C(F)(F)F)CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)14(22)11-5-7-21(8-6-11)15(23)16(24)9-12-3-1-2-4-13(12)10-16/h1-4,11,14,22,24H,5-10H2
InChIKeyXFIDIIKCWJCLCK-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.68
Rot. Bonds2

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

(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 139008581) has the molecular formula C17H20F3NO3 and a molecular weight of 343.34 g/mol. Its IUPAC name is (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID139008581
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC Name(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(O)C(F)(F)F)CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)14(22)11-5-7-21(8-6-11)15(23)16(24)9-12-3-1-2-4-13(12)10-16/h1-4,11,14,22,24H,5-10H2
InChIKeyXFIDIIKCWJCLCK-UHFFFAOYSA-N
XLogP1.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2-Hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 71925528
(3S)-4-(4-fluorophenyl)-2-hydroxy-3-methyl-1-piperidin-1-ylbutan-1-one
CID 69730752
(9H-fluoren-9-yl)methyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate
CID 164874331
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 20637717
1'-[(2,2,3,3-Tetrafluoropropoxy)acetyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56915741
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 95728913
1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 95728914
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703960
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 107482898

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (CID 139008581) is (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is O=C(N1CCC(C(O)C(F)(F)F)CC1)C1(O)Cc2ccccc2C1.
What is the InChIKey of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is XFIDIIKCWJCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)14(22)11-5-7-21(8-6-11)15(23)16(24)9-12-3-1-2-4-13(12)10-16/h1-4,11,14,22,24H,5-10H2.
What are the key properties of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 343.34 g/mol, XLogP of 1.68, 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-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 139008581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).