2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid

C15H19NO4 — CID 80741468

IUPAC2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C15H19NO4/c17-13-4-2-1-3-12(13)10-14(18)16-7-5-11(6-8-16)9-15(19)20/h1-4,11,17H,5-10H2,(H,19,20)
InChIKeyNLECNHCTBJZOPN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid (PubChem CID 80741468) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
PubChem CID80741468
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C15H19NO4/c17-13-4-2-1-3-12(13)10-14(18)16-7-5-11(6-8-16)9-15(19)20/h1-4,11,17H,5-10H2,(H,19,20)
InChIKeyNLECNHCTBJZOPN-UHFFFAOYSA-N
XLogP1.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120684687
1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78967459
2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 166236384
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
2-[1-[2-(4-bromo-2-methylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120515553
3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62217825
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid (CID 80741468) is 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)Cc2ccccc2O)CC1.
What is the InChIKey of 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is NLECNHCTBJZOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13-4-2-1-3-12(13)10-14(18)16-7-5-11(6-8-16)9-15(19)20/h1-4,11,17H,5-10H2,(H,19,20).
What are the key properties of 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 80741468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).