2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one

C12H21NO2 — CID 134971090

IUPAC2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one
SMILESCC(C)=CC(C)(O)C(=O)N1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(2)9-12(3,15)11(14)13-7-5-4-6-8-13/h9,15H,4-8H2,1-3H3
InChIKeyLAVDXFIPTZNTSX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.72
Rot. Bonds2

About 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one

2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one (PubChem CID 134971090) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one.

Molecular Properties

Compound Name2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one
PubChem CID134971090
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one
SMILESCC(C)=CC(C)(O)C(=O)N1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(2)9-12(3,15)11(14)13-7-5-4-6-8-13/h9,15H,4-8H2,1-3H3
InChIKeyLAVDXFIPTZNTSX-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one?
The IUPAC name of 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one (CID 134971090) is 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one.
What is the SMILES notation for 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one?
The canonical SMILES for 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one is CC(C)=CC(C)(O)C(=O)N1CCCCC1.
What is the InChIKey of 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one?
The InChIKey is LAVDXFIPTZNTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)9-12(3,15)11(14)13-7-5-4-6-8-13/h9,15H,4-8H2,1-3H3.
What are the key properties of 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one?
2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one has a molecular weight of 211.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one is sourced from PubChem (CID 134971090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).