piperazin-1-yl 3,3-dimethylbutanoate

C10H20N2O2 — CID 66914631

IUPACpiperazin-1-yl 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)ON1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8-9(13)14-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyGUQXUDOBIPZTHT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.79
Rot. Bonds2

About piperazin-1-yl 3,3-dimethylbutanoate

piperazin-1-yl 3,3-dimethylbutanoate (PubChem CID 66914631) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is piperazin-1-yl 3,3-dimethylbutanoate.

Molecular Properties

Compound Namepiperazin-1-yl 3,3-dimethylbutanoate
PubChem CID66914631
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namepiperazin-1-yl 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)ON1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8-9(13)14-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyGUQXUDOBIPZTHT-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate
CID 174493543
piperazin-1-yl propanoate
CID 12863406
dipiperazin-1-yl butanedioate
CID 69276754
2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate
CID 175295046
piperazin-1-yl acetate
CID 54492305
dipiperazin-1-yl oxalate
CID 57296724
[4-(3-hydroxypropanoyloxy)-1,4,7,10-tetrazacyclododec-1-yl] 3-hydroxypropanoate
CID 175945631
diimidazolidin-1-yl butanedioate
CID 174415270
pyrrolidin-1-yl 2-piperazin-1-ylacetate
CID 69133633
dibenzyl 2-[2-[4-[1,3-bis[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]-7-(3,3-dimethylbutanoyloxy)-1,4,7,10-tetrazacyclododec-1-yl]ethylamino]propanedioate
CID 140685504
2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
CID 69422963
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl 3,3-dimethylbutanoate?
The IUPAC name of piperazin-1-yl 3,3-dimethylbutanoate (CID 66914631) is piperazin-1-yl 3,3-dimethylbutanoate.
What is the SMILES notation for piperazin-1-yl 3,3-dimethylbutanoate?
The canonical SMILES for piperazin-1-yl 3,3-dimethylbutanoate is CC(C)(C)CC(=O)ON1CCNCC1.
What is the InChIKey of piperazin-1-yl 3,3-dimethylbutanoate?
The InChIKey is GUQXUDOBIPZTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)8-9(13)14-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of piperazin-1-yl 3,3-dimethylbutanoate?
piperazin-1-yl 3,3-dimethylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl 3,3-dimethylbutanoate is sourced from PubChem (CID 66914631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).