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

C14H20N2O2 — CID 22200648

IUPACmethyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C14H20N2O2/c1-12-5-3-4-6-13(12)16-9-7-15(8-10-16)11-14(17)18-2/h3-6H,7-11H2,1-2H3
InChIKeyDHGUMABDTBCUSY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds3

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

methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate (PubChem CID 22200648) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
PubChem CID22200648
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C14H20N2O2/c1-12-5-3-4-6-13(12)16-9-7-15(8-10-16)11-14(17)18-2/h3-6H,7-11H2,1-2H3
InChIKeyDHGUMABDTBCUSY-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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Related Compounds

2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182
ethane;methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]acetate
CID 69265331
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
N-(3,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725978
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate (CID 22200648) is methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2ccccc2C)CC1.
What is the InChIKey of methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate?
The InChIKey is DHGUMABDTBCUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-5-3-4-6-13(12)16-9-7-15(8-10-16)11-14(17)18-2/h3-6H,7-11H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate?
methyl 2-[4-(2-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-(2-methylphenyl)piperazin-1-yl]acetate is sourced from PubChem (CID 22200648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).