2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid

C13H17NO3 — CID 12858703

IUPAC2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid
SMILESO=C(O)C(c1ccc(O)cc1)C1CCCCN1
InChIInChI=1S/C13H17NO3/c15-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-14-11/h4-7,11-12,14-15H,1-3,8H2,(H,16,17)
InChIKeyRONUHFNRYTWMCI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid

2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid (PubChem CID 12858703) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid
PubChem CID12858703
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid
SMILESO=C(O)C(c1ccc(O)cc1)C1CCCCN1
InChIInChI=1S/C13H17NO3/c15-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-14-11/h4-7,11-12,14-15H,1-3,8H2,(H,16,17)
InChIKeyRONUHFNRYTWMCI-UHFFFAOYSA-N
XLogP1.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid (CID 12858703) is 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid is O=C(O)C(c1ccc(O)cc1)C1CCCCN1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid?
The InChIKey is RONUHFNRYTWMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-14-11/h4-7,11-12,14-15H,1-3,8H2,(H,16,17).
What are the key properties of 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid?
2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid is sourced from PubChem (CID 12858703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).