tert-butyl 2-piperazin-1-ylacetate;dihydrochloride

C10H22Cl2N2O2 — CID 2757325

IUPACtert-butyl 2-piperazin-1-ylacetate;dihydrochloride
SMILESCC(C)(C)OC(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H
InChIKeyJNPMEYOZRVPYPP-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.08
Rot. Bonds2

About tert-butyl 2-piperazin-1-ylacetate;dihydrochloride

tert-butyl 2-piperazin-1-ylacetate;dihydrochloride (PubChem CID 2757325) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is tert-butyl 2-piperazin-1-ylacetate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl 2-piperazin-1-ylacetate;dihydrochloride
PubChem CID2757325
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Nametert-butyl 2-piperazin-1-ylacetate;dihydrochloride
SMILESCC(C)(C)OC(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H
InChIKeyJNPMEYOZRVPYPP-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-piperazin-1-ylacetate;dihydrochloride?
The IUPAC name of tert-butyl 2-piperazin-1-ylacetate;dihydrochloride (CID 2757325) is tert-butyl 2-piperazin-1-ylacetate;dihydrochloride.
What is the SMILES notation for tert-butyl 2-piperazin-1-ylacetate;dihydrochloride?
The canonical SMILES for tert-butyl 2-piperazin-1-ylacetate;dihydrochloride is CC(C)(C)OC(=O)CN1CCNCC1.Cl.Cl.
What is the InChIKey of tert-butyl 2-piperazin-1-ylacetate;dihydrochloride?
The InChIKey is JNPMEYOZRVPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H.
What are the key properties of tert-butyl 2-piperazin-1-ylacetate;dihydrochloride?
tert-butyl 2-piperazin-1-ylacetate;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 1.08, 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;dihydrochloride is sourced from PubChem (CID 2757325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).