2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid

C14H18FNO3 — CID 46992717

IUPAC2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid
SMILESCc1cc(C(C(=O)O)N2CCC(O)CC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-9-8-10(2-3-12(9)15)13(14(18)19)16-6-4-11(17)5-7-16/h2-3,8,11,13,17H,4-7H2,1H3,(H,18,19)
InChIKeyAIIJGHDQHIOWTQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid

2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid (PubChem CID 46992717) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid
PubChem CID46992717
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid
SMILESCc1cc(C(C(=O)O)N2CCC(O)CC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-9-8-10(2-3-12(9)15)13(14(18)19)16-6-4-11(17)5-7-16/h2-3,8,11,13,17H,4-7H2,1H3,(H,18,19)
InChIKeyAIIJGHDQHIOWTQ-UHFFFAOYSA-N
XLogP1.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(dimethylamino)-2-phenylpropanoate
CID 57393500
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
1-[(3-Fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3939326
2-(4-Methylpiperazin-1-yl)-2-phenylacetic acid
CID 22957262
2-Phenyl-2-(piperidin-1-yl)acetic acid
CID 408627
2-(4-Methylpiperidin-1-yl)-2-phenylacetic acid
CID 3157175
Morpholinium, 4,4-diethyl-2-oxo-3-phenyl-, bromide
CID 200982
4-Morpholineacetic acid, alpha-p-tolyl-, ethyl ester
CID 202137
1-Piperidineacetic acid, alpha-phenyl-, ethyl ester, hydrochloride
CID 211029

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid (CID 46992717) is 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid is Cc1cc(C(C(=O)O)N2CCC(O)CC2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid?
The InChIKey is AIIJGHDQHIOWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-8-10(2-3-12(9)15)13(14(18)19)16-6-4-11(17)5-7-16/h2-3,8,11,13,17H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid?
2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid has a molecular weight of 267.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-(4-hydroxypiperidin-1-yl)acetic acid is sourced from PubChem (CID 46992717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).