ethenyl 4-ethylpiperazine-1-carboxylate

C9H16N2O2 — CID 19069644

IUPACethenyl 4-ethylpiperazine-1-carboxylate
SMILESC=COC(=O)N1CCN(CC)CC1
InChIInChI=1S/C9H16N2O2/c1-3-10-5-7-11(8-6-10)9(12)13-4-2/h4H,2-3,5-8H2,1H3
InChIKeyVPFZJXKGQKMADO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.90
Rot. Bonds2

About ethenyl 4-ethylpiperazine-1-carboxylate

ethenyl 4-ethylpiperazine-1-carboxylate (PubChem CID 19069644) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethenyl 4-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethenyl 4-ethylpiperazine-1-carboxylate
PubChem CID19069644
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethenyl 4-ethylpiperazine-1-carboxylate
SMILESC=COC(=O)N1CCN(CC)CC1
InChIInChI=1S/C9H16N2O2/c1-3-10-5-7-11(8-6-10)9(12)13-4-2/h4H,2-3,5-8H2,1H3
InChIKeyVPFZJXKGQKMADO-UHFFFAOYSA-N
XLogP0.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,4-Piperazinedicarboxylic acid, diethyl ester
CID 79615
1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride
CID 68285
1-Piperazinecarboxylic acid, 4-ethyl-, ethyl ester, hydrochloride
CID 116093
Ethyl 4-methylpiperazine-1-carboxylate
CID 68286
1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, ethyl ester, hydrochloride
CID 212382
1-Piperazinecarboxylic acid, 4-(2-(dimethylamino)ethyl)-, ethyl ester, hydrochloride
CID 212394
1-Piperazinecarboxylic acid, 4-ethyl-, ethyl ester
CID 116094
Methyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate
CID 212381
Ethyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate
CID 212383
Propyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate
CID 212385
Ethyl 4-[2-(dimethylamino)ethyl]piperazine-1-carboxylate
CID 212395
Methyl 4,4-dimethylpiperazin-4-ium-1-carboxylate
CID 54583486

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-ethylpiperazine-1-carboxylate?
The IUPAC name of ethenyl 4-ethylpiperazine-1-carboxylate (CID 19069644) is ethenyl 4-ethylpiperazine-1-carboxylate.
What is the SMILES notation for ethenyl 4-ethylpiperazine-1-carboxylate?
The canonical SMILES for ethenyl 4-ethylpiperazine-1-carboxylate is C=COC(=O)N1CCN(CC)CC1.
What is the InChIKey of ethenyl 4-ethylpiperazine-1-carboxylate?
The InChIKey is VPFZJXKGQKMADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-10-5-7-11(8-6-10)9(12)13-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of ethenyl 4-ethylpiperazine-1-carboxylate?
ethenyl 4-ethylpiperazine-1-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 19069644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).