ethyl 4-prop-2-enylpiperazine-1-carboxylate

C10H18N2O2 — CID 17147483

IUPACethyl 4-prop-2-enylpiperazine-1-carboxylate
SMILESC=CCN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C10H18N2O2/c1-3-5-11-6-8-12(9-7-11)10(13)14-4-2/h3H,1,4-9H2,2H3
InChIKeyDXMZAANQFQIMTA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.95
Rot. Bonds3

About ethyl 4-prop-2-enylpiperazine-1-carboxylate

ethyl 4-prop-2-enylpiperazine-1-carboxylate (PubChem CID 17147483) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 4-prop-2-enylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-prop-2-enylpiperazine-1-carboxylate
PubChem CID17147483
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 4-prop-2-enylpiperazine-1-carboxylate
SMILESC=CCN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C10H18N2O2/c1-3-5-11-6-8-12(9-7-11)10(13)14-4-2/h3H,1,4-9H2,2H3
InChIKeyDXMZAANQFQIMTA-UHFFFAOYSA-N
XLogP0.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, diallyl-, ethyl ester
CID 143741
Diallyl piperazine-1,4-dicarboxylate
CID 1916974
Cambridge id 5431559
CID 783685
2-Diethylaminoethyl 4-allylpiperazine-1-carboxylate
CID 515544
AG-H-08867
CID 11276205
Propyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate
CID 212385
Niosh/TM2989070
CID 24842294
4-Carboxy-1,1-diallylpiperazinium bromide ethyl ester
CID 24842309
4-Carboxy-1,1-diallylpiperazinium chloride ethyl ester
CID 24842311
Ethyl trans-4-allyl-2,5-dimethyl-1-piperazinecarboxylate
CID 10823138
Ethenyl 4-ethylpiperazine-1-carboxylate
CID 19069644
4-Allyloxycarbonyl-1-methylpiperazine
CID 19836661

Frequently Asked Questions

What is the IUPAC name of ethyl 4-prop-2-enylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-prop-2-enylpiperazine-1-carboxylate (CID 17147483) is ethyl 4-prop-2-enylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-prop-2-enylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-prop-2-enylpiperazine-1-carboxylate is C=CCN1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-prop-2-enylpiperazine-1-carboxylate?
The InChIKey is DXMZAANQFQIMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-11-6-8-12(9-7-11)10(13)14-4-2/h3H,1,4-9H2,2H3.
What are the key properties of ethyl 4-prop-2-enylpiperazine-1-carboxylate?
ethyl 4-prop-2-enylpiperazine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-prop-2-enylpiperazine-1-carboxylate is sourced from PubChem (CID 17147483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).