(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

C20H24FN3O2 — CID 95135589

IUPAC(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESCN(C)[C@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-23(2)18(15-6-5-7-16(21)14-15)19(25)24-12-9-20(26,10-13-24)17-8-3-4-11-22-17/h3-8,11,14,18,26H,9-10,12-13H2,1-2H3/t18-/m0/s1
InChIKeyWIBGUPGVXHVBIR-SFHVURJKSA-N
MW357.43 g/mol
LogP2.33
Rot. Bonds4

About (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (PubChem CID 95135589) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
PubChem CID95135589
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESCN(C)[C@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-23(2)18(15-6-5-7-16(21)14-15)19(25)24-12-9-20(26,10-13-24)17-8-3-4-11-22-17/h3-8,11,14,18,26H,9-10,12-13H2,1-2H3/t18-/m0/s1
InChIKeyWIBGUPGVXHVBIR-SFHVURJKSA-N
XLogP2.33
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

Pirmenol
CID 65502
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
Pirmenol Hydrochloride
CID 65501
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 9889462
(2-Methyl-pyridin-3-yl)-[4-(4,4,4-trifluoro-3-hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-acetonitrile
CID 10002913
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
CID 10410208
[4-(3-Hydroxy-3-phenyl-3-pyridin-3-yl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10411043
{4-[3,3-Bis-(4-fluoro-phenyl)-3-hydroxy-propionyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10435103
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-pyridin-4-yl-acetonitrile; hydrate
CID 10455159
[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10474804
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
CID 10836338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (CID 95135589) is (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is CN(C)[C@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1cccc(F)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is WIBGUPGVXHVBIR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23(2)18(15-6-5-7-16(21)14-15)19(25)24-12-9-20(26,10-13-24)17-8-3-4-11-22-17/h3-8,11,14,18,26H,9-10,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 357.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 95135589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).