(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone

C19H27FN2O2 — CID 125171393

IUPAC(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
SMILESO=C([C@@H](O)c1ccccc1F)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c20-17-8-4-3-7-16(17)18(23)19(24)22-13-9-15(10-14-22)21-11-5-1-2-6-12-21/h3-4,7-8,15,18,23H,1-2,5-6,9-14H2/t18-/m0/s1
InChIKeyPUCWRGFXLVEAJJ-SFHVURJKSA-N
MW334.43 g/mol
LogP2.73
Rot. Bonds3

About (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone

(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone (PubChem CID 125171393) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
PubChem CID125171393
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
SMILESO=C([C@@H](O)c1ccccc1F)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c20-17-8-4-3-7-16(17)18(23)19(24)22-13-9-15(10-14-22)21-11-5-1-2-6-12-21/h3-4,7-8,15,18,23H,1-2,5-6,9-14H2/t18-/m0/s1
InChIKeyPUCWRGFXLVEAJJ-SFHVURJKSA-N
XLogP2.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone with MolForge

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Related Compounds

1-cyclopentyl-4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 77081733
1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 99929160
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97206351
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 97192808
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl] N-(4-chlorophenyl)carbamate;2,2,2-trifluoroacetic acid
CID 11353939
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone?
The IUPAC name of (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone (CID 125171393) is (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone?
The canonical SMILES for (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone is O=C([C@@H](O)c1ccccc1F)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone?
The InChIKey is PUCWRGFXLVEAJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-17-8-4-3-7-16(17)18(23)19(24)22-13-9-15(10-14-22)21-11-5-1-2-6-12-21/h3-4,7-8,15,18,23H,1-2,5-6,9-14H2/t18-/m0/s1.
What are the key properties of (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone?
(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone has a molecular weight of 334.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 125171393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).