2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid

C13H17NO3 — CID 117167997

IUPAC2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNCC1c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c15-11-3-1-9(2-4-11)12-8-14-6-5-10(12)7-13(16)17/h1-4,10,12,14-15H,5-8H2,(H,16,17)
InChIKeyMSXXTFPHRBTEMH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.56
Rot. Bonds3

About 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid

2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid (PubChem CID 117167997) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid
PubChem CID117167997
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNCC1c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c15-11-3-1-9(2-4-11)12-8-14-6-5-10(12)7-13(16)17/h1-4,10,12,14-15H,5-8H2,(H,16,17)
InChIKeyMSXXTFPHRBTEMH-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid (CID 117167997) is 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCNCC1c1ccc(O)cc1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid?
The InChIKey is MSXXTFPHRBTEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-3-1-9(2-4-11)12-8-14-6-5-10(12)7-13(16)17/h1-4,10,12,14-15H,5-8H2,(H,16,17).
What are the key properties of 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid?
2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 117167997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).