methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate

C13H18N2O2 — CID 45072841

IUPACmethyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCNC[C@H]1C
InChIInChI=1S/C13H18N2O2/c1-10-9-14-7-8-15(10)12-6-4-3-5-11(12)13(16)17-2/h3-6,10,14H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyOFEVVVMZMLNELW-SNVBAGLBSA-N
MW234.30 g/mol
LogP1.27
Rot. Bonds2

About methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate

methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate (PubChem CID 45072841) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
PubChem CID45072841
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCNC[C@H]1C
InChIInChI=1S/C13H18N2O2/c1-10-9-14-7-8-15(10)12-6-4-3-5-11(12)13(16)17-2/h3-6,10,14H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyOFEVVVMZMLNELW-SNVBAGLBSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate (CID 45072841) is methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate is COC(=O)c1ccccc1N1CCNC[C@H]1C.
What is the InChIKey of methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate?
The InChIKey is OFEVVVMZMLNELW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-14-7-8-15(10)12-6-4-3-5-11(12)13(16)17-2/h3-6,10,14H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate?
methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate has a molecular weight of 234.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate is sourced from PubChem (CID 45072841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).