tert-butyl 4-prop-2-enylpiperazine-1-carboxylate

C12H22N2O2 — CID 11276205

IUPACtert-butyl 4-prop-2-enylpiperazine-1-carboxylate
SMILESC=CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyPMOKFILPEDLZAP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl 4-prop-2-enylpiperazine-1-carboxylate

tert-butyl 4-prop-2-enylpiperazine-1-carboxylate (PubChem CID 11276205) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 4-prop-2-enylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-prop-2-enylpiperazine-1-carboxylate
PubChem CID11276205
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 4-prop-2-enylpiperazine-1-carboxylate
SMILESC=CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyPMOKFILPEDLZAP-UHFFFAOYSA-N
XLogP1.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-prop-2-enylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-prop-2-enylpiperazine-1-carboxylate (CID 11276205) is tert-butyl 4-prop-2-enylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-prop-2-enylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-prop-2-enylpiperazine-1-carboxylate is C=CCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-prop-2-enylpiperazine-1-carboxylate?
The InChIKey is PMOKFILPEDLZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h5H,1,6-10H2,2-4H3.
What are the key properties of tert-butyl 4-prop-2-enylpiperazine-1-carboxylate?
tert-butyl 4-prop-2-enylpiperazine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-prop-2-enylpiperazine-1-carboxylate is sourced from PubChem (CID 11276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).