4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid

C14H19NO4 — CID 82667166

IUPAC4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(C2CC(O)C(C(=O)O)CN2)cc1C
InChIInChI=1S/C14H19NO4/c1-8-5-9(3-4-13(8)19-2)11-6-12(16)10(7-15-11)14(17)18/h3-5,10-12,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyRDTLFZWESJWHQK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.10
Rot. Bonds3

About 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid

4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid (PubChem CID 82667166) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid
PubChem CID82667166
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(C2CC(O)C(C(=O)O)CN2)cc1C
InChIInChI=1S/C14H19NO4/c1-8-5-9(3-4-13(8)19-2)11-6-12(16)10(7-15-11)14(17)18/h3-5,10-12,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyRDTLFZWESJWHQK-UHFFFAOYSA-N
XLogP1.10
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol
CID 118300666
2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane
CID 160572472
2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine
CID 66241618
5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117467617
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
CID 82667478
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117470579
(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
CID 96625235
4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
CID 82667474
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid (CID 82667166) is 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid is COc1ccc(C2CC(O)C(C(=O)O)CN2)cc1C.
What is the InChIKey of 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid?
The InChIKey is RDTLFZWESJWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-5-9(3-4-13(8)19-2)11-6-12(16)10(7-15-11)14(17)18/h3-5,10-12,15-16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid?
4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82667166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).