prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate

C15H28N2O2 — CID 82247246

IUPACprop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C15H28N2O2/c1-6-7-19-15(18)17-10-14(12(4)5)16-9-13(17)8-11(2)3/h6,11-14,16H,1,7-10H2,2-5H3
InChIKeyRXBTXSIVGSZVAZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.65
Rot. Bonds5

About prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate

prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate (PubChem CID 82247246) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate
PubChem CID82247246
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameprop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C15H28N2O2/c1-6-7-19-15(18)17-10-14(12(4)5)16-9-13(17)8-11(2)3/h6,11-14,16H,1,7-10H2,2-5H3
InChIKeyRXBTXSIVGSZVAZ-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate (CID 82247246) is prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate is C=CCOC(=O)N1CC(C(C)C)NCC1CC(C)C.
What is the InChIKey of prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is RXBTXSIVGSZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-7-19-15(18)17-10-14(12(4)5)16-9-13(17)8-11(2)3/h6,11-14,16H,1,7-10H2,2-5H3.
What are the key properties of prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate?
prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 82247246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).