2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate

C14H29N3O3 — CID 515579

IUPAC2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate
SMILESCCN(CC)CCOCCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H29N3O3/c1-4-16(5-2)10-11-19-12-13-20-14(18)17-8-6-15(3)7-9-17/h4-13H2,1-3H3
InChIKeyCAPANAFILMLOQM-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.73
Rot. Bonds8

About 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate

2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515579) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate
PubChem CID515579
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate
SMILESCCN(CC)CCOCCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H29N3O3/c1-4-16(5-2)10-11-19-12-13-20-14(18)17-8-6-15(3)7-9-17/h4-13H2,1-3H3
InChIKeyCAPANAFILMLOQM-UHFFFAOYSA-N
XLogP0.73
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate (CID 515579) is 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate is CCN(CC)CCOCCOC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is CAPANAFILMLOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-4-16(5-2)10-11-19-12-13-20-14(18)17-8-6-15(3)7-9-17/h4-13H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate?
2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).