tert-butyl 2-piperazin-1-ylacetate

C10H20N2O2 — CID 2757326

IUPACtert-butyl 2-piperazin-1-ylacetate
SMILESCC(C)(C)OC(=O)CN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyJOJBGPBSHQZRDA-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds2

About tert-butyl 2-piperazin-1-ylacetate

tert-butyl 2-piperazin-1-ylacetate (PubChem CID 2757326) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 2-piperazin-1-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-piperazin-1-ylacetate
PubChem CID2757326
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl 2-piperazin-1-ylacetate
SMILESCC(C)(C)OC(=O)CN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyJOJBGPBSHQZRDA-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate
CID 11237632
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
CID 393881
Tert-butyl 2-(2-aminoacetamido)acetate
CID 15403805
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Tert-butyl 2-(piperazin-1-yl)acetate dihydrochloride
CID 2757325
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Tert-butyl 2-((2-(dimethylamino)ethyl)amino)acetate
CID 47002972
Tert-butyl 2-[(carbamoylmethyl)amino]acetate
CID 60681794
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
tert-Butyl (1,4,7,10-tetraazacyclododecan-1-yl)acetate
CID 15187102
Tert-butyl 2-(1,4,7-triazonan-1-yl)acetate
CID 393898

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-piperazin-1-ylacetate?
The IUPAC name of tert-butyl 2-piperazin-1-ylacetate (CID 2757326) is tert-butyl 2-piperazin-1-ylacetate.
What is the SMILES notation for tert-butyl 2-piperazin-1-ylacetate?
The canonical SMILES for tert-butyl 2-piperazin-1-ylacetate is CC(C)(C)OC(=O)CN1CCNCC1.
What is the InChIKey of tert-butyl 2-piperazin-1-ylacetate?
The InChIKey is JOJBGPBSHQZRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-piperazin-1-ylacetate?
tert-butyl 2-piperazin-1-ylacetate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-piperazin-1-ylacetate is sourced from PubChem (CID 2757326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).