3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid

C16H23NO3 — CID 84752381

IUPAC3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid
SMILESCC1CCN(C(C)(Cc2ccc(O)cc2)C(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-12-7-9-17(10-8-12)16(2,15(19)20)11-13-3-5-14(18)6-4-13/h3-6,12,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyFZLCCCVFVJLOFV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.51
Rot. Bonds4

About 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid

3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid (PubChem CID 84752381) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid
PubChem CID84752381
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid
SMILESCC1CCN(C(C)(Cc2ccc(O)cc2)C(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-12-7-9-17(10-8-12)16(2,15(19)20)11-13-3-5-14(18)6-4-13/h3-6,12,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyFZLCCCVFVJLOFV-UHFFFAOYSA-N
XLogP2.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid (CID 84752381) is 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid is CC1CCN(C(C)(Cc2ccc(O)cc2)C(=O)O)CC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid?
The InChIKey is FZLCCCVFVJLOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-7-9-17(10-8-12)16(2,15(19)20)11-13-3-5-14(18)6-4-13/h3-6,12,18H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid?
3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 84752381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).