methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate

C14H20N2O3 — CID 117415412

IUPACmethyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)12-5-3-4-11(10-12)13(17)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3
InChIKeyGBCYRCNHIXTLJK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.64
Rot. Bonds3

About methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate

methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate (PubChem CID 117415412) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
PubChem CID117415412
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)12-5-3-4-11(10-12)13(17)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3
InChIKeyGBCYRCNHIXTLJK-UHFFFAOYSA-N
XLogP0.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-hydroxyacetate
CID 117481301
methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
CID 117337590
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
CID 175743962
methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
CID 117414843
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate
CID 59744225
methyl 3-[3-(4-methylpiperazin-1-yl)phenyl]sulfanylpropanoate
CID 163265357
methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
CID 117380930
2-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117410747
amino-[3-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 174753723
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate (CID 117415412) is methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate is COC(=O)C(O)c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate?
The InChIKey is GBCYRCNHIXTLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)12-5-3-4-11(10-12)13(17)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate?
methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate has a molecular weight of 264.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate is sourced from PubChem (CID 117415412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).