[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate

C14H26N2O3 — CID 58474437

IUPAC[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-12(17)19-11-13(18)16-9-7-15(8-10-16)6-5-14(2,3)4/h5-11H2,1-4H3
InChIKeyHYMNDMRBEJFZSX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds4

About [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate

[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate (PubChem CID 58474437) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
PubChem CID58474437
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-12(17)19-11-13(18)16-9-7-15(8-10-16)6-5-14(2,3)4/h5-11H2,1-4H3
InChIKeyHYMNDMRBEJFZSX-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate (CID 58474437) is [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate?
The InChIKey is HYMNDMRBEJFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(17)19-11-13(18)16-9-7-15(8-10-16)6-5-14(2,3)4/h5-11H2,1-4H3.
What are the key properties of [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate?
[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate has a molecular weight of 270.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 58474437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).