2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid

C13H17NO4 — CID 84618104

IUPAC2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(OC2CCNCC2)cc1O
InChIInChI=1S/C13H17NO4/c15-12-8-11(2-1-9(12)7-13(16)17)18-10-3-5-14-6-4-10/h1-2,8,10,14-15H,3-7H2,(H,16,17)
InChIKeyLZLHIXQKNBRREC-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.15
Rot. Bonds4

About 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid

2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid (PubChem CID 84618104) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid
PubChem CID84618104
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(OC2CCNCC2)cc1O
InChIInChI=1S/C13H17NO4/c15-12-8-11(2-1-9(12)7-13(16)17)18-10-3-5-14-6-4-10/h1-2,8,10,14-15H,3-7H2,(H,16,17)
InChIKeyLZLHIXQKNBRREC-UHFFFAOYSA-N
XLogP1.15
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid?
The IUPAC name of 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid (CID 84618104) is 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid is O=C(O)Cc1ccc(OC2CCNCC2)cc1O.
What is the InChIKey of 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid?
The InChIKey is LZLHIXQKNBRREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12-8-11(2-1-9(12)7-13(16)17)18-10-3-5-14-6-4-10/h1-2,8,10,14-15H,3-7H2,(H,16,17).
What are the key properties of 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid?
2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid is sourced from PubChem (CID 84618104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).