methyl 2-piperazin-1-ylacetate

C7H14N2O2 — CID 15343158

IUPACmethyl 2-piperazin-1-ylacetate
SMILESCOC(=O)CN1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3
InChIKeyUHHVABRWHRKEPJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.94
Rot. Bonds2

About methyl 2-piperazin-1-ylacetate

methyl 2-piperazin-1-ylacetate (PubChem CID 15343158) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylacetate
PubChem CID15343158
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 2-piperazin-1-ylacetate
SMILESCOC(=O)CN1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3
InChIKeyUHHVABRWHRKEPJ-UHFFFAOYSA-N
XLogP-0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Piperazin-1-yl-acetic acid
CID 650402
2-Morpholin-4-ium-4-ylacetate
CID 1616939
2-(1-Piperazinyl)acetic acid monohydrate
CID 2760429
Methyl 2-(piperazin-1-yl)acetate hydrochloride
CID 17559628
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Methyl 2-(piperazin-1-yl)acetate dihydrochloride
CID 53398818
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
2-(Piperazin-1-yl)acetic acid hydrochloride
CID 67009840
Methyl 2-(3,5-dioxopiperazin-1-yl)acetate
CID 8902866
Methyl 2-[(2-aminoethyl)(methyl)amino]acetate dihydrochloride
CID 71757259
Methyl 2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}acetate
CID 82889193

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylacetate?
The IUPAC name of methyl 2-piperazin-1-ylacetate (CID 15343158) is methyl 2-piperazin-1-ylacetate.
What is the SMILES notation for methyl 2-piperazin-1-ylacetate?
The canonical SMILES for methyl 2-piperazin-1-ylacetate is COC(=O)CN1CCNCC1.
What is the InChIKey of methyl 2-piperazin-1-ylacetate?
The InChIKey is UHHVABRWHRKEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3.
What are the key properties of methyl 2-piperazin-1-ylacetate?
methyl 2-piperazin-1-ylacetate has a molecular weight of 158.20 g/mol, XLogP of -0.94, 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 is sourced from PubChem (CID 15343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).