methyl 2-piperazin-1-ylacetate;dihydrochloride

C7H16Cl2N2O2 — CID 53398818

IUPACmethyl 2-piperazin-1-ylacetate;dihydrochloride
SMILESCOC(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-11-7(10)6-9-4-2-8-3-5-9;;/h8H,2-6H2,1H3;2*1H
InChIKeyCDYBIEKUAQBESG-UHFFFAOYSA-N
MW231.12 g/mol
LogP-0.09
Rot. Bonds2

About methyl 2-piperazin-1-ylacetate;dihydrochloride

methyl 2-piperazin-1-ylacetate;dihydrochloride (PubChem CID 53398818) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylacetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylacetate;dihydrochloride
PubChem CID53398818
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Namemethyl 2-piperazin-1-ylacetate;dihydrochloride
SMILESCOC(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-11-7(10)6-9-4-2-8-3-5-9;;/h8H,2-6H2,1H3;2*1H
InChIKeyCDYBIEKUAQBESG-UHFFFAOYSA-N
XLogP-0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylacetate;dihydrochloride?
The IUPAC name of methyl 2-piperazin-1-ylacetate;dihydrochloride (CID 53398818) is methyl 2-piperazin-1-ylacetate;dihydrochloride.
What is the SMILES notation for methyl 2-piperazin-1-ylacetate;dihydrochloride?
The canonical SMILES for methyl 2-piperazin-1-ylacetate;dihydrochloride is COC(=O)CN1CCNCC1.Cl.Cl.
What is the InChIKey of methyl 2-piperazin-1-ylacetate;dihydrochloride?
The InChIKey is CDYBIEKUAQBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-11-7(10)6-9-4-2-8-3-5-9;;/h8H,2-6H2,1H3;2*1H.
What are the key properties of methyl 2-piperazin-1-ylacetate;dihydrochloride?
methyl 2-piperazin-1-ylacetate;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-ylacetate;dihydrochloride is sourced from PubChem (CID 53398818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).