tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate

C13H24N2O2 — CID 176939396

IUPACtert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate
SMILESC=C(C)CC1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C13H24N2O2/c1-10(2)8-11-9-15(7-6-14-11)12(16)17-13(3,4)5/h11,14H,1,6-9H2,2-5H3
InChIKeyASOUEKWZCDZLCK-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate

tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate (PubChem CID 176939396) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate
PubChem CID176939396
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate
SMILESC=C(C)CC1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C13H24N2O2/c1-10(2)8-11-9-15(7-6-14-11)12(16)17-13(3,4)5/h11,14H,1,6-9H2,2-5H3
InChIKeyASOUEKWZCDZLCK-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072245
tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
CID 53407692
tert-butyl (3R)-3-(cyanomethyl)piperazine-1-carboxylate
CID 96603936
tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate
CID 139034686
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]butanoic acid
CID 82667418
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl 3-formyloxypiperazine-1-carboxylate
CID 129303164
tert-butyl 3-[2-(2-bromoanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 58284918
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
CID 57355298
tert-butyl (3S)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911213
tert-butyl (3R)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911212
tert-butyl (3R)-3-prop-2-enoylpiperazine-1-carboxylate
CID 66656818

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate (CID 176939396) is tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate is C=C(C)CC1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate?
The InChIKey is ASOUEKWZCDZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)8-11-9-15(7-6-14-11)12(16)17-13(3,4)5/h11,14H,1,6-9H2,2-5H3.
What are the key properties of tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate?
tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate is sourced from PubChem (CID 176939396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).