2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate

C13H27N3O2 — CID 515542

IUPAC2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCN(CC)CC1
InChIInChI=1S/C13H27N3O2/c1-4-14(5-2)11-12-18-13(17)16-9-7-15(6-3)8-10-16/h4-12H2,1-3H3
InChIKeyCIWVHAHQWNEVMO-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.10
Rot. Bonds6

About 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate

2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate (PubChem CID 515542) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate
PubChem CID515542
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCN(CC)CC1
InChIInChI=1S/C13H27N3O2/c1-4-14(5-2)11-12-18-13(17)16-9-7-15(6-3)8-10-16/h4-12H2,1-3H3
InChIKeyCIWVHAHQWNEVMO-UHFFFAOYSA-N
XLogP1.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate (CID 515542) is 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate is CCN(CC)CCOC(=O)N1CCN(CC)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate?
The InChIKey is CIWVHAHQWNEVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-14(5-2)11-12-18-13(17)16-9-7-15(6-3)8-10-16/h4-12H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate?
2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 515542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).