methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate

C15H21NO4 — CID 117447811

IUPACmethyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(OC)ccc1N1CCCCC1
InChIInChI=1S/C15H21NO4/c1-19-11-6-7-13(16-8-4-3-5-9-16)12(10-11)14(17)15(18)20-2/h6-7,10,14,17H,3-5,8-9H2,1-2H3
InChIKeyJNVGSYFZFVOTSZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate

methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate (PubChem CID 117447811) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
PubChem CID117447811
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(OC)ccc1N1CCCCC1
InChIInChI=1S/C15H21NO4/c1-19-11-6-7-13(16-8-4-3-5-9-16)12(10-11)14(17)15(18)20-2/h6-7,10,14,17H,3-5,8-9H2,1-2H3
InChIKeyJNVGSYFZFVOTSZ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate
CID 117456058
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol
CID 117316095
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine
CID 117341151
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
methyl 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-hydroxyacetate
CID 117499401
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117374092
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
CID 117350296

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate (CID 117447811) is methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate is COC(=O)C(O)c1cc(OC)ccc1N1CCCCC1.
What is the InChIKey of methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate?
The InChIKey is JNVGSYFZFVOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-11-6-7-13(16-8-4-3-5-9-16)12(10-11)14(17)15(18)20-2/h6-7,10,14,17H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate?
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate has a molecular weight of 279.34 g/mol, XLogP of 1.89, 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-(5-methoxy-2-piperidin-1-ylphenyl)acetate is sourced from PubChem (CID 117447811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).