tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate

C14H26N2O2 — CID 132511927

IUPACtert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate
SMILESCC(C)=CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)6-7-15-8-10-16(11-9-15)13(17)18-14(3,4)5/h6H,7-11H2,1-5H3
InChIKeyGFRCOCDDHDVONF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate

tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate (PubChem CID 132511927) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate
PubChem CID132511927
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate
SMILESCC(C)=CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)6-7-15-8-10-16(11-9-15)13(17)18-14(3,4)5/h6H,7-11H2,1-5H3
InChIKeyGFRCOCDDHDVONF-UHFFFAOYSA-N
XLogP2.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.51
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-(3-methylbut-2-enyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate (CID 132511927) is tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate is CC(C)=CCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate?
The InChIKey is GFRCOCDDHDVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)6-7-15-8-10-16(11-9-15)13(17)18-14(3,4)5/h6H,7-11H2,1-5H3.
What are the key properties of tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate?
tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylbut-2-enyl)piperazine-1-carboxylate is sourced from PubChem (CID 132511927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).