2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate

C16H33N3O2 — CID 515560

IUPAC2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate
SMILESCCCCN(CCCC)CCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O2/c1-4-6-8-18(9-7-5-2)14-15-21-16(20)19-12-10-17(3)11-13-19/h4-15H2,1-3H3
InChIKeyWHRQBYOBZVYAQJ-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.27
Rot. Bonds9

About 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate

2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515560) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate
PubChem CID515560
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate
SMILESCCCCN(CCCC)CCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O2/c1-4-6-8-18(9-7-5-2)14-15-21-16(20)19-12-10-17(3)11-13-19/h4-15H2,1-3H3
InChIKeyWHRQBYOBZVYAQJ-UHFFFAOYSA-N
XLogP2.27
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate (CID 515560) is 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate is CCCCN(CCCC)CCOC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is WHRQBYOBZVYAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-6-8-18(9-7-5-2)14-15-21-16(20)19-12-10-17(3)11-13-19/h4-15H2,1-3H3.
What are the key properties of 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate?
2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 299.46 g/mol, XLogP of 2.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).