3-[2-(dimethylamino)ethenyl]piperidin-4-one

C9H16N2O — CID 173026018

IUPAC3-[2-(dimethylamino)ethenyl]piperidin-4-one
SMILESCN(C)C=CC1CNCCC1=O
InChIInChI=1S/C9H16N2O/c1-11(2)6-4-8-7-10-5-3-9(8)12/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyODEMTAPELZXDAT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.24
Rot. Bonds2

About 3-[2-(dimethylamino)ethenyl]piperidin-4-one

3-[2-(dimethylamino)ethenyl]piperidin-4-one (PubChem CID 173026018) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethenyl]piperidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethenyl]piperidin-4-one
PubChem CID173026018
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[2-(dimethylamino)ethenyl]piperidin-4-one
SMILESCN(C)C=CC1CNCCC1=O
InChIInChI=1S/C9H16N2O/c1-11(2)6-4-8-7-10-5-3-9(8)12/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyODEMTAPELZXDAT-UHFFFAOYSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethenyl]piperidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethenyl]piperidin-4-one (CID 173026018) is 3-[2-(dimethylamino)ethenyl]piperidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethenyl]piperidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethenyl]piperidin-4-one is CN(C)C=CC1CNCCC1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethenyl]piperidin-4-one?
The InChIKey is ODEMTAPELZXDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11(2)6-4-8-7-10-5-3-9(8)12/h4,6,8,10H,3,5,7H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethenyl]piperidin-4-one?
3-[2-(dimethylamino)ethenyl]piperidin-4-one has a molecular weight of 168.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethenyl]piperidin-4-one is sourced from PubChem (CID 173026018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).