1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one

C15H30N2O3 — CID 56803164

IUPAC1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCOCC(O)CN1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C15H30N2O3/c1-5-15(3,4)14(19)17-9-7-16(8-10-17)11-13(18)12-20-6-2/h13,18H,5-12H2,1-4H3
InChIKeyUEDUOODRDRIGCL-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.96
Rot. Bonds7

About 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one

1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 56803164) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID56803164
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCOCC(O)CN1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C15H30N2O3/c1-5-15(3,4)14(19)17-9-7-16(8-10-17)11-13(18)12-20-6-2/h13,18H,5-12H2,1-4H3
InChIKeyUEDUOODRDRIGCL-UHFFFAOYSA-N
XLogP0.96
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one (CID 56803164) is 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one is CCOCC(O)CN1CCN(C(=O)C(C)(C)CC)CC1.
What is the InChIKey of 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is UEDUOODRDRIGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-15(3,4)14(19)17-9-7-16(8-10-17)11-13(18)12-20-6-2/h13,18H,5-12H2,1-4H3.
What are the key properties of 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 286.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 56803164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).