2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one

C12H22N2O — CID 59741025

IUPAC2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one
SMILESC=C(C)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5/h1,6-9H2,2-5H3
InChIKeyWZFGKFRHSLXIRI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.71
Rot. Bonds1

About 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 59741025) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one
PubChem CID59741025
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one
SMILESC=C(C)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5/h1,6-9H2,2-5H3
InChIKeyWZFGKFRHSLXIRI-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-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 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one (CID 59741025) is 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one is C=C(C)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is WZFGKFRHSLXIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5/h1,6-9H2,2-5H3.
What are the key properties of 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 59741025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).