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

C15H21NO4 — CID 117447814

IUPACmethyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C15H21NO4/c1-16-9-7-11(8-10-16)20-13-6-4-3-5-12(13)14(17)15(18)19-2/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyKJNZRDPCOKEGFE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.37
Rot. Bonds4

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

methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate (PubChem CID 117447814) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
PubChem CID117447814
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C15H21NO4/c1-16-9-7-11(8-10-16)20-13-6-4-3-5-12(13)14(17)15(18)19-2/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyKJNZRDPCOKEGFE-UHFFFAOYSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117494142
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
CID 115995663
methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
CID 117446352
methyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117482639
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
CID 82240674
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
CID 117475980
methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
CID 117428957
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate (CID 117447814) is methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate is COC(=O)C(O)c1ccccc1OC1CCN(C)CC1.
What is the InChIKey of methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The InChIKey is KJNZRDPCOKEGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-16-9-7-11(8-10-16)20-13-6-4-3-5-12(13)14(17)15(18)19-2/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.37, 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-(1-methylpiperidin-4-yl)oxyphenyl]acetate is sourced from PubChem (CID 117447814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).