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

C14H19NO4 — CID 117239763

IUPAC3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
SMILESO=C(O)C(COc1cccc(O)c1)C1CCNCC1
InChIInChI=1S/C14H19NO4/c16-11-2-1-3-12(8-11)19-9-13(14(17)18)10-4-6-15-7-5-10/h1-3,8,10,13,15-16H,4-7,9H2,(H,17,18)
InChIKeyPWACSEXQFFOJAX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds5

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

3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid (PubChem CID 117239763) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
PubChem CID117239763
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
SMILESO=C(O)C(COc1cccc(O)c1)C1CCNCC1
InChIInChI=1S/C14H19NO4/c16-11-2-1-3-12(8-11)19-9-13(14(17)18)10-4-6-15-7-5-10/h1-3,8,10,13,15-16H,4-7,9H2,(H,17,18)
InChIKeyPWACSEXQFFOJAX-UHFFFAOYSA-N
XLogP1.47
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
CID 117239760
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117245508
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
3-[3-[2-[3-[2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenoxy]ethoxy]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 155369482
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780
2-(1,1-dioxothian-4-yl)-3-phenoxypropanoic acid
CID 117239668
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid (CID 117239763) is 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid is O=C(O)C(COc1cccc(O)c1)C1CCNCC1.
What is the InChIKey of 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid?
The InChIKey is PWACSEXQFFOJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-11-2-1-3-12(8-11)19-9-13(14(17)18)10-4-6-15-7-5-10/h1-3,8,10,13,15-16H,4-7,9H2,(H,17,18).
What are the key properties of 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid?
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 117239763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).