1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone

C9H15NO2 — CID 15415520

IUPAC1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone
SMILESC=C[C@H]1[C@H](O)CCCN1C(C)=O
InChIInChI=1S/C9H15NO2/c1-3-8-9(12)5-4-6-10(8)7(2)11/h3,8-9,12H,1,4-6H2,2H3/t8-,9+/m0/s1
InChIKeySZGQKXQFRZMUIM-DTWKUNHWSA-N
MW169.22 g/mol
LogP0.54
Rot. Bonds1

About 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone

1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 15415520) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone
PubChem CID15415520
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone
SMILESC=C[C@H]1[C@H](O)CCCN1C(C)=O
InChIInChI=1S/C9H15NO2/c1-3-8-9(12)5-4-6-10(8)7(2)11/h3,8-9,12H,1,4-6H2,2H3/t8-,9+/m0/s1
InChIKeySZGQKXQFRZMUIM-DTWKUNHWSA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide
CID 59963017
1-[(3S)-3-hydroxypiperidin-1-yl]but-3-en-1-one
CID 107224867
2-Ethenyl-1-methylpiperidin-3-ol
CID 139998908
tert-butyl (2R,3R)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 10998741
Tert-butyl (2R,3S)-3-hydroxy-2-vinyl-piperidine-1-carboxylate
CID 11031589
Ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 15315646
N-ethyl-N-(3-hydroxyhex-5-en-2-yl)acetamide
CID 20671404
(2S,3R)-2-ethenyl-1-prop-2-enylpiperidin-3-ol
CID 46939713
1-(3-Hydroxypiperidin-1-yl)but-3-en-1-one
CID 62677982
1-(3-Hydroxypiperidin-1-yl)pent-4-en-1-one
CID 62677983
Tert-butyl 2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 85361303
(8R,8aR)-8-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 101633972

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone (CID 15415520) is 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone is C=C[C@H]1[C@H](O)CCCN1C(C)=O.
What is the InChIKey of 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is SZGQKXQFRZMUIM-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8-9(12)5-4-6-10(8)7(2)11/h3,8-9,12H,1,4-6H2,2H3/t8-,9+/m0/s1.
What are the key properties of 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone?
1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 15415520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).