methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate

C16H23NO5 — CID 117494142

IUPACmethyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)C(O)c1ccc(OC2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C16H23NO5/c1-17-8-6-12(7-9-17)22-13-5-4-11(10-14(13)20-2)15(18)16(19)21-3/h4-5,10,12,15,18H,6-9H2,1-3H3
InChIKeyLFAUPEMOENDJAF-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.37
Rot. Bonds5

About methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate

methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate (PubChem CID 117494142) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
PubChem CID117494142
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)C(O)c1ccc(OC2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C16H23NO5/c1-17-8-6-12(7-9-17)22-13-5-4-11(10-14(13)20-2)15(18)16(19)21-3/h4-5,10,12,15,18H,6-9H2,1-3H3
InChIKeyLFAUPEMOENDJAF-UHFFFAOYSA-N
XLogP1.37
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
CID 117475980
methyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117482639
methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
CID 117477504
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117447814
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117460126
2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117450060
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate (CID 117494142) is methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate is COC(=O)C(O)c1ccc(OC2CCN(C)CC2)c(OC)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The InChIKey is LFAUPEMOENDJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-17-8-6-12(7-9-17)22-13-5-4-11(10-14(13)20-2)15(18)16(19)21-3/h4-5,10,12,15,18H,6-9H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate has a molecular weight of 309.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate is sourced from PubChem (CID 117494142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).