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

C15H31N3O2 — CID 515545

IUPAC2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate
SMILESCCCCN1CCN(C(=O)OCCN(CC)CC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-7-8-17-9-11-18(12-10-17)15(19)20-14-13-16(5-2)6-3/h4-14H2,1-3H3
InChIKeyIPQWNOXTJHBWNF-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.88
Rot. Bonds8

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

2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate (PubChem CID 515545) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate
PubChem CID515545
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate
SMILESCCCCN1CCN(C(=O)OCCN(CC)CC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-7-8-17-9-11-18(12-10-17)15(19)20-14-13-16(5-2)6-3/h4-14H2,1-3H3
InChIKeyIPQWNOXTJHBWNF-UHFFFAOYSA-N
XLogP1.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.88
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-butylpiperazine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate (CID 515545) is 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate is CCCCN1CCN(C(=O)OCCN(CC)CC)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate?
The InChIKey is IPQWNOXTJHBWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-7-8-17-9-11-18(12-10-17)15(19)20-14-13-16(5-2)6-3/h4-14H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate?
2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-butylpiperazine-1-carboxylate is sourced from PubChem (CID 515545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).