4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid

C15H21NO2 — CID 82086541

IUPAC4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
SMILESCc1cc(C)c(C2(C(=O)O)CCNCC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-8-11(2)13(12(3)9-10)15(14(17)18)4-6-16-7-5-15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyUBKJAKMLGWFITM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds2

About 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid

4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid (PubChem CID 82086541) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
PubChem CID82086541
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
SMILESCc1cc(C)c(C2(C(=O)O)CCNCC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-8-11(2)13(12(3)9-10)15(14(17)18)4-6-16-7-5-15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyUBKJAKMLGWFITM-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
CID 82289321
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
CID 82285493
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844514
4-(3-aminophenyl)piperidine-4-carboxylic acid
CID 103194003
[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol
CID 66024977
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117311256
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
4-(methoxymethyl)-4-(2,4,6-trimethylphenyl)piperidine
CID 82480029
1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344763
1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
CID 82285208
1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278474

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid (CID 82086541) is 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid is Cc1cc(C)c(C2(C(=O)O)CCNCC2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid?
The InChIKey is UBKJAKMLGWFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-8-11(2)13(12(3)9-10)15(14(17)18)4-6-16-7-5-15/h8-9,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid?
4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82086541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).