tert-butyl 2-ethenylpiperazine-1-carboxylate

C11H20N2O2 — CID 123900808

IUPACtert-butyl 2-ethenylpiperazine-1-carboxylate
SMILESC=CC1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h5,9,12H,1,6-8H2,2-4H3
InChIKeyXPUBYHVNOZENMF-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.38
Rot. Bonds1

About tert-butyl 2-ethenylpiperazine-1-carboxylate

tert-butyl 2-ethenylpiperazine-1-carboxylate (PubChem CID 123900808) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl 2-ethenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethenylpiperazine-1-carboxylate
PubChem CID123900808
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl 2-ethenylpiperazine-1-carboxylate
SMILESC=CC1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h5,9,12H,1,6-8H2,2-4H3
InChIKeyXPUBYHVNOZENMF-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-ethenylpiperazine-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

Related Compounds

tert-butyl N-(2-aminopent-4-en-1-yl)carbamate
CID 130041824
tert-butyl 2-(aminomethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 146155143
tert-butyl 4-methyl-3-[(E)-prop-1-enyl]piperazine-1-carboxylate
CID 162409914
tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride
CID 170912511
1-Boc-4-Allylaminopiperidine
CID 18677683
tert-butyl N-[3-methylidene-1-(prop-2-enylamino)pentan-2-yl]carbamate
CID 18771311
tert-butyl N-[(2S)-1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate
CID 20792034
tert-butyl N-[(2S)-1-(2-methylprop-2-enylamino)but-3-en-2-yl]carbamate
CID 20792036
tert-butyl N-[(2S)-1-(prop-2-enylamino)but-3-en-2-yl]carbamate
CID 20792037
tert-butyl N-[1-(prop-2-ynylamino)but-3-en-2-yl]carbamate
CID 20792124
Tert-butyl 4-(but-3-en-1-yl)piperazine-1-carboxylate
CID 22080942
tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate
CID 22474764

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethenylpiperazine-1-carboxylate (CID 123900808) is tert-butyl 2-ethenylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethenylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethenylpiperazine-1-carboxylate is C=CC1CNCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethenylpiperazine-1-carboxylate?
The InChIKey is XPUBYHVNOZENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h5,9,12H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl 2-ethenylpiperazine-1-carboxylate?
tert-butyl 2-ethenylpiperazine-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenylpiperazine-1-carboxylate is sourced from PubChem (CID 123900808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).