3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid

C15H21NO4 — CID 117239821

IUPAC3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
SMILESCOc1ccc(OCC(C(=O)O)C2CCNCC2)cc1
InChIInChI=1S/C15H21NO4/c1-19-12-2-4-13(5-3-12)20-10-14(15(17)18)11-6-8-16-9-7-11/h2-5,11,14,16H,6-10H2,1H3,(H,17,18)
InChIKeyLEUCPUBCUASYOU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.77
Rot. Bonds6

About 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid

3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid (PubChem CID 117239821) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
PubChem CID117239821
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
SMILESCOc1ccc(OCC(C(=O)O)C2CCNCC2)cc1
InChIInChI=1S/C15H21NO4/c1-19-12-2-4-13(5-3-12)20-10-14(15(17)18)11-6-8-16-9-7-11/h2-5,11,14,16H,6-10H2,1H3,(H,17,18)
InChIKeyLEUCPUBCUASYOU-UHFFFAOYSA-N
XLogP1.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
CID 117245908
2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
CID 117237470
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
2-(1,1-dioxothian-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239796
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780
methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
CID 117239760
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
3-(3-methoxyphenoxy)-2-(thiolan-3-yl)propanoic acid
CID 117238346
2-(1,1-dioxothiolan-3-yl)-3-(4-fluorophenoxy)propanoic acid
CID 117238406

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid (CID 117239821) is 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid is COc1ccc(OCC(C(=O)O)C2CCNCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid?
The InChIKey is LEUCPUBCUASYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-12-2-4-13(5-3-12)20-10-14(15(17)18)11-6-8-16-9-7-11/h2-5,11,14,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid?
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 117239821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).