ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate

C13H25N3O2 — CID 107877646

IUPACethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate
SMILESC=C(CNCC)CN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O2/c1-4-14-10-12(3)11-15-6-8-16(9-7-15)13(17)18-5-2/h14H,3-11H2,1-2H3
InChIKeyWXURKKCRNOGVQB-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.93
Rot. Bonds6

About ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate

ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate (PubChem CID 107877646) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate
PubChem CID107877646
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nameethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate
SMILESC=C(CNCC)CN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O2/c1-4-14-10-12(3)11-15-6-8-16(9-7-15)13(17)18-5-2/h14H,3-11H2,1-2H3
InChIKeyWXURKKCRNOGVQB-UHFFFAOYSA-N
XLogP0.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 5431559
CID 783685
2-Methylprop-2-enyl piperazine-1-carboxylate
CID 55267379
ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate
CID 51081691
3-(4-Ethoxycarbonylpiperazinyl)propanamine
CID 20252224
Ethyl 4-[3-(methylamino)propyl]piperazine-1-carboxylate
CID 96375127
Ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate
CID 123633961
ethane;ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate;molecular hydrogen
CID 145068911
Tert-butyl 3-(methylaminomethyl)-4-prop-2-enylpiperazine-1-carboxylate
CID 156435300
ethyl N-[2-(2-methylprop-2-enylamino)ethyl]carbamate
CID 156706197
2-Methylbut-2-enyl piperazine-1-carboxylate
CID 175221487
Ethyl 4-(2-methylbut-2-enyl)piperazine-1-carboxylate
CID 743495
ethyl 4-[(E)-2-methylbut-2-enyl]piperazin-4-ium-1-carboxylate
CID 5629139

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate (CID 107877646) is ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate is C=C(CNCC)CN1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate?
The InChIKey is WXURKKCRNOGVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-14-10-12(3)11-15-6-8-16(9-7-15)13(17)18-5-2/h14H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate?
ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate is sourced from PubChem (CID 107877646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).