methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate

C14H20N2O2 — CID 28880294

IUPACmethyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-12-4-3-5-13(10-12)16-8-6-15(7-9-16)11-14(17)18-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyVIAUOKUZVMHOHT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate

methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate (PubChem CID 28880294) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate
PubChem CID28880294
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-12-4-3-5-13(10-12)16-8-6-15(7-9-16)11-14(17)18-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyVIAUOKUZVMHOHT-UHFFFAOYSA-N
XLogP1.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate (CID 28880294) is methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate?
The InChIKey is VIAUOKUZVMHOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-4-3-5-13(10-12)16-8-6-15(7-9-16)11-14(17)18-2/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate?
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate has a molecular weight of 248.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate is sourced from PubChem (CID 28880294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).