2-methylprop-2-enyl piperazine-1-carboxylate

C9H16N2O2 — CID 55267379

IUPAC2-methylprop-2-enyl piperazine-1-carboxylate
SMILESC=C(C)COC(=O)N1CCNCC1
InChIInChI=1S/C9H16N2O2/c1-8(2)7-13-9(12)11-5-3-10-4-6-11/h10H,1,3-7H2,2H3
InChIKeyCVTHRLNWEAPPPQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.60
Rot. Bonds2

About 2-methylprop-2-enyl piperazine-1-carboxylate

2-methylprop-2-enyl piperazine-1-carboxylate (PubChem CID 55267379) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methylprop-2-enyl piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enyl piperazine-1-carboxylate
PubChem CID55267379
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-methylprop-2-enyl piperazine-1-carboxylate
SMILESC=C(C)COC(=O)N1CCNCC1
InChIInChI=1S/C9H16N2O2/c1-8(2)7-13-9(12)11-5-3-10-4-6-11/h10H,1,3-7H2,2H3
InChIKeyCVTHRLNWEAPPPQ-UHFFFAOYSA-N
XLogP0.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enyl piperazine-1-carboxylate 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-methylprop-2-enyl piperazine-1-carboxylate?
The IUPAC name of 2-methylprop-2-enyl piperazine-1-carboxylate (CID 55267379) is 2-methylprop-2-enyl piperazine-1-carboxylate.
What is the SMILES notation for 2-methylprop-2-enyl piperazine-1-carboxylate?
The canonical SMILES for 2-methylprop-2-enyl piperazine-1-carboxylate is C=C(C)COC(=O)N1CCNCC1.
What is the InChIKey of 2-methylprop-2-enyl piperazine-1-carboxylate?
The InChIKey is CVTHRLNWEAPPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)7-13-9(12)11-5-3-10-4-6-11/h10H,1,3-7H2,2H3.
What are the key properties of 2-methylprop-2-enyl piperazine-1-carboxylate?
2-methylprop-2-enyl piperazine-1-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl piperazine-1-carboxylate is sourced from PubChem (CID 55267379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).