tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate

C12H22N2O2 — CID 123634051

IUPACtert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate
SMILESC=CC1CN(C(=O)OC(C)(C)C)C(C)CN1
InChIInChI=1S/C12H22N2O2/c1-6-10-8-14(9(2)7-13-10)11(15)16-12(3,4)5/h6,9-10,13H,1,7-8H2,2-5H3
InChIKeyFGQDVCXFNGJNNC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate

tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate (PubChem CID 123634051) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate
PubChem CID123634051
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate
SMILESC=CC1CN(C(=O)OC(C)(C)C)C(C)CN1
InChIInChI=1S/C12H22N2O2/c1-6-10-8-14(9(2)7-13-10)11(15)16-12(3,4)5/h6,9-10,13H,1,7-8H2,2-5H3
InChIKeyFGQDVCXFNGJNNC-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.77
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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate (CID 123634051) is tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate is C=CC1CN(C(=O)OC(C)(C)C)C(C)CN1.
What is the InChIKey of tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate?
The InChIKey is FGQDVCXFNGJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-10-8-14(9(2)7-13-10)11(15)16-12(3,4)5/h6,9-10,13H,1,7-8H2,2-5H3.
What are the key properties of tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate?
tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 123634051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).