2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate

C14H27N3O2 — CID 515544

IUPAC2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate
SMILESC=CCN1CCN(C(=O)OCCN(CC)CC)CC1
InChIInChI=1S/C14H27N3O2/c1-4-7-16-8-10-17(11-9-16)14(18)19-13-12-15(5-2)6-3/h4H,1,5-13H2,2-3H3
InChIKeyMQKGUNPDWJMBCC-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.27
Rot. Bonds7

About 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate

2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate (PubChem CID 515544) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate
PubChem CID515544
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate
SMILESC=CCN1CCN(C(=O)OCCN(CC)CC)CC1
InChIInChI=1S/C14H27N3O2/c1-4-7-16-8-10-17(11-9-16)14(18)19-13-12-15(5-2)6-3/h4H,1,5-13H2,2-3H3
InChIKeyMQKGUNPDWJMBCC-UHFFFAOYSA-N
XLogP1.27
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate (CID 515544) is 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate is C=CCN1CCN(C(=O)OCCN(CC)CC)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate?
The InChIKey is MQKGUNPDWJMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-7-16-8-10-17(11-9-16)14(18)19-13-12-15(5-2)6-3/h4H,1,5-13H2,2-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate?
2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-prop-2-enylpiperazine-1-carboxylate is sourced from PubChem (CID 515544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).