4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid

C16H23NO3 — CID 82626536

IUPAC4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
SMILESCOc1cc(C)c(C)cc1C1CC(C)NCC1C(=O)O
InChIInChI=1S/C16H23NO3/c1-9-5-13(15(20-4)6-10(9)2)12-7-11(3)17-8-14(12)16(18)19/h5-6,11-12,14,17H,7-8H2,1-4H3,(H,18,19)
InChIKeyNMVWFYLZZNTJAI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.48
Rot. Bonds3

About 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid

4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 82626536) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID82626536
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
SMILESCOc1cc(C)c(C)cc1C1CC(C)NCC1C(=O)O
InChIInChI=1S/C16H23NO3/c1-9-5-13(15(20-4)6-10(9)2)12-7-11(3)17-8-14(12)16(18)19/h5-6,11-12,14,17H,7-8H2,1-4H3,(H,18,19)
InChIKeyNMVWFYLZZNTJAI-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
CID 116822126
4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid
CID 82667166
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone
CID 43150256
2-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221393
4-(1,3-benzodioxol-5-yl)-6-methylpiperidine-3-carboxylic acid
CID 82624474
2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one
CID 83837131
5-[4-(dimethylamino)-2,5-dimethoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117474882
4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid
CID 82624016
(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride
CID 161209147

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid (CID 82626536) is 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid is COc1cc(C)c(C)cc1C1CC(C)NCC1C(=O)O.
What is the InChIKey of 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is NMVWFYLZZNTJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-9-5-13(15(20-4)6-10(9)2)12-7-11(3)17-8-14(12)16(18)19/h5-6,11-12,14,17H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid?
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 82626536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).