1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one

C10H17NO2 — CID 91099767

IUPAC1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one
SMILESCC=C(C)C(=O)N1CCC(O)CC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)10(13)11-6-4-9(12)5-7-11/h3,9,12H,4-7H2,1-2H3
InChIKeyDLZQGFRZLQMTRA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds1

About 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one

1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one (PubChem CID 91099767) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one
PubChem CID91099767
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one
SMILESCC=C(C)C(=O)N1CCC(O)CC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)10(13)11-6-4-9(12)5-7-11/h3,9,12H,4-7H2,1-2H3
InChIKeyDLZQGFRZLQMTRA-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Hydroxypiperidin-1-yl)prop-2-en-1-one
CID 15755067
1-(4-Hydroxy-piperidin-1-yl)-2-methyl-prop-2-en-1-one
CID 21251860
1-[2-(4-Hydroxypiperidin-1-yl)ethyl]-3-methylpyridin-2-one
CID 57584091
(E)-4-(dimethylamino)-1-(4-hydroxypiperidin-1-yl)but-2-en-1-one
CID 68400119
N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide
CID 87184698
(Z)-3-hydroxy-1-(4-hydroxypiperidin-1-yl)pent-2-en-1-one
CID 89531568
(Z)-3-hydroxy-1-(4-hydroxypiperidin-1-yl)-4-methylpent-2-en-1-one
CID 89531571
1-(4-Methoxypiperidin-1-yl)but-2-en-1-one
CID 112723226
4-(4-Hydroxypiperidin-1-yl)-1-(3-methylpiperidin-1-yl)but-2-en-1-one
CID 123963634
N,N-bis(3-hydroxybutyl)-2-methylprop-2-enamide
CID 140177083
3-Hydroxy-1-(4-hydroxypiperidin-1-yl)but-2-en-1-one
CID 140606110
3-Hydroxy-1-(4-methoxypiperidin-1-yl)but-2-en-1-one
CID 140606144

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one (CID 91099767) is 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one is CC=C(C)C(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one?
The InChIKey is DLZQGFRZLQMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(2)10(13)11-6-4-9(12)5-7-11/h3,9,12H,4-7H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one?
1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-methylbut-2-en-1-one is sourced from PubChem (CID 91099767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).