methyl 3-piperazin-1-yloxetane-3-carboxylate

C9H16N2O3 — CID 75481681

IUPACmethyl 3-piperazin-1-yloxetane-3-carboxylate
SMILESCOC(=O)C1(N2CCNCC2)COC1
InChIInChI=1S/C9H16N2O3/c1-13-8(12)9(6-14-7-9)11-4-2-10-3-5-11/h10H,2-7H2,1H3
InChIKeyJAYJGEQVGGXCAY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.17
Rot. Bonds2

About methyl 3-piperazin-1-yloxetane-3-carboxylate

methyl 3-piperazin-1-yloxetane-3-carboxylate (PubChem CID 75481681) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 3-piperazin-1-yloxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-piperazin-1-yloxetane-3-carboxylate
PubChem CID75481681
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 3-piperazin-1-yloxetane-3-carboxylate
SMILESCOC(=O)C1(N2CCNCC2)COC1
InChIInChI=1S/C9H16N2O3/c1-13-8(12)9(6-14-7-9)11-4-2-10-3-5-11/h10H,2-7H2,1H3
InChIKeyJAYJGEQVGGXCAY-UHFFFAOYSA-N
XLogP-1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-piperazin-1-yloxetane-3-carboxylate?
The IUPAC name of methyl 3-piperazin-1-yloxetane-3-carboxylate (CID 75481681) is methyl 3-piperazin-1-yloxetane-3-carboxylate.
What is the SMILES notation for methyl 3-piperazin-1-yloxetane-3-carboxylate?
The canonical SMILES for methyl 3-piperazin-1-yloxetane-3-carboxylate is COC(=O)C1(N2CCNCC2)COC1.
What is the InChIKey of methyl 3-piperazin-1-yloxetane-3-carboxylate?
The InChIKey is JAYJGEQVGGXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-13-8(12)9(6-14-7-9)11-4-2-10-3-5-11/h10H,2-7H2,1H3.
What are the key properties of methyl 3-piperazin-1-yloxetane-3-carboxylate?
methyl 3-piperazin-1-yloxetane-3-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperazin-1-yloxetane-3-carboxylate is sourced from PubChem (CID 75481681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).