prop-2-enyl 4-butylpiperazine-1-carboxylate

C12H22N2O2 — CID 20795374

IUPACprop-2-enyl 4-butylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(CCCC)CC1
InChIInChI=1S/C12H22N2O2/c1-3-5-6-13-7-9-14(10-8-13)12(15)16-11-4-2/h4H,2-3,5-11H2,1H3
InChIKeyZPWHKKYUOSYRFW-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.73
Rot. Bonds5

About prop-2-enyl 4-butylpiperazine-1-carboxylate

prop-2-enyl 4-butylpiperazine-1-carboxylate (PubChem CID 20795374) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is prop-2-enyl 4-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-butylpiperazine-1-carboxylate
PubChem CID20795374
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameprop-2-enyl 4-butylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(CCCC)CC1
InChIInChI=1S/C12H22N2O2/c1-3-5-6-13-7-9-14(10-8-13)12(15)16-11-4-2/h4H,2-3,5-11H2,1H3
InChIKeyZPWHKKYUOSYRFW-UHFFFAOYSA-N
XLogP1.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 prop-2-enyl 4-butylpiperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-butylpiperazine-1-carboxylate (CID 20795374) is prop-2-enyl 4-butylpiperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-butylpiperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-butylpiperazine-1-carboxylate is C=CCOC(=O)N1CCN(CCCC)CC1.
What is the InChIKey of prop-2-enyl 4-butylpiperazine-1-carboxylate?
The InChIKey is ZPWHKKYUOSYRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-5-6-13-7-9-14(10-8-13)12(15)16-11-4-2/h4H,2-3,5-11H2,1H3.
What are the key properties of prop-2-enyl 4-butylpiperazine-1-carboxylate?
prop-2-enyl 4-butylpiperazine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-butylpiperazine-1-carboxylate is sourced from PubChem (CID 20795374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).