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

C15H22N2O3 — CID 117446352

IUPACmethyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1CN1CCN(C)CC1
InChIInChI=1S/C15H22N2O3/c1-16-7-9-17(10-8-16)11-12-5-3-4-6-13(12)14(18)15(19)20-2/h3-6,14,18H,7-11H2,1-2H3
InChIKeyRNQMPEAAAHLHAU-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.64
Rot. Bonds4

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

methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate (PubChem CID 117446352) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
PubChem CID117446352
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1CN1CCN(C)CC1
InChIInChI=1S/C15H22N2O3/c1-16-7-9-17(10-8-16)11-12-5-3-4-6-13(12)14(18)15(19)20-2/h3-6,14,18H,7-11H2,1-2H3
InChIKeyRNQMPEAAAHLHAU-UHFFFAOYSA-N
XLogP0.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanoic acid
CID 117444735
methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117447814
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
sodium 2-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 139934477
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 117408476
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-2-amine
CID 117372131
2,2-dimethyl-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanoic acid
CID 117469358
methyl 2-hydroxy-2-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]acetate
CID 117414842
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate (CID 117446352) is methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate is COC(=O)C(O)c1ccccc1CN1CCN(C)CC1.
What is the InChIKey of methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate?
The InChIKey is RNQMPEAAAHLHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-7-9-17(10-8-16)11-12-5-3-4-6-13(12)14(18)15(19)20-2/h3-6,14,18H,7-11H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate?
methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate has a molecular weight of 278.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 117446352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).