4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid

C14H19NO4 — CID 69056858

IUPAC4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid
SMILESCc1cccc(OC2CCN(C(=O)O)CC2O)c1C
InChIInChI=1S/C14H19NO4/c1-9-4-3-5-12(10(9)2)19-13-6-7-15(14(17)18)8-11(13)16/h3-5,11,13,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyGCCRRSMGPUNTRJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds2

About 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid

4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 69056858) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid
PubChem CID69056858
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid
SMILESCc1cccc(OC2CCN(C(=O)O)CC2O)c1C
InChIInChI=1S/C14H19NO4/c1-9-4-3-5-12(10(9)2)19-13-6-7-15(14(17)18)8-11(13)16/h3-5,11,13,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyGCCRRSMGPUNTRJ-UHFFFAOYSA-N
XLogP1.80
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20548921
5-(2,3-dimethylphenoxy)-1-methylsulfonylazepan-4-ol
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(4S,5S)-5-(2,3-dimethylphenoxy)azepan-4-ol
CID 22808307
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
but-2-enedioic acid;(3R,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol
CID 70544199
(3S)-1-[3-(2,3-dimethylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 129368712
3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid
CID 23157065
(3R,4S)-4-(2,3-dimethylphenoxy)piperidin-3-ol;sulfuric acid
CID 20843167
4-(2-formylphenoxy)-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 174806304
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
1-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-2-(2,3-dimethylphenoxy)ethanone
CID 56891228
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CID 91093858

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid (CID 69056858) is 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid is Cc1cccc(OC2CCN(C(=O)O)CC2O)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is GCCRRSMGPUNTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-3-5-12(10(9)2)19-13-6-7-15(14(17)18)8-11(13)16/h3-5,11,13,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid?
4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69056858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).