1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C12H22N2O — CID 58171885

IUPAC1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESC=C(N)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O/c1-9(13)10-6-5-7-14(8-10)11(15)12(2,3)4/h10H,1,5-8,13H2,2-4H3
InChIKeyKUOZHNZIOXWLFC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds1

About 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 58171885) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID58171885
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESC=C(N)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O/c1-9(13)10-6-5-7-14(8-10)11(15)12(2,3)4/h10H,1,5-8,13H2,2-4H3
InChIKeyKUOZHNZIOXWLFC-UHFFFAOYSA-N
XLogP1.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 58171885) is 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is C=C(N)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KUOZHNZIOXWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(13)10-6-5-7-14(8-10)11(15)12(2,3)4/h10H,1,5-8,13H2,2-4H3.
What are the key properties of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58171885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).