1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one

C14H17F2NO3 — CID 71605093

IUPAC1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
SMILESO=C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO3/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-17-5-3-10(18)4-6-17/h1-2,7,11,19H,3-6,8-9H2/t11-/m0/s1
InChIKeyHOHLZBPVRIHVBW-NSHDSACASA-N
MW285.29 g/mol
LogP1.37
Rot. Bonds5

About 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one

1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one (PubChem CID 71605093) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
PubChem CID71605093
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
SMILESO=C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO3/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-17-5-3-10(18)4-6-17/h1-2,7,11,19H,3-6,8-9H2/t11-/m0/s1
InChIKeyHOHLZBPVRIHVBW-NSHDSACASA-N
XLogP1.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one
CID 39367532
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041912
1-[[1-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]-3H-isoquinolin-4-one
CID 58188858
1-(4-chloro-3-fluorophenoxy)-3-(4-nitrosopiperazin-1-yl)propan-2-ol
CID 146458065
4-[1-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-2H-phthalazin-1-one
CID 11676015
1-(4-bromo-3-fluorophenoxy)-3-thiomorpholin-4-ylpropan-2-ol
CID 59563475
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457928
(2S)-1-(4-aminophenoxy)-3-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-2-ol;ethane
CID 143892719
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
N-[4-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67025968
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one?
The IUPAC name of 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one (CID 71605093) is 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one.
What is the SMILES notation for 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one?
The canonical SMILES for 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one is O=C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one?
The InChIKey is HOHLZBPVRIHVBW-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-17-5-3-10(18)4-6-17/h1-2,7,11,19H,3-6,8-9H2/t11-/m0/s1.
What are the key properties of 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one?
1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one has a molecular weight of 285.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one is sourced from PubChem (CID 71605093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).