2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid

C14H19NO2 — CID 83918785

IUPAC2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid
SMILESCc1cc(C)cc(C2NCCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-9-6-10(2)8-11(7-9)13-12(14(16)17)4-3-5-15-13/h6-8,12-13,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyCHNRDZOITICICL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds2

About 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid

2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid (PubChem CID 83918785) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid
PubChem CID83918785
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid
SMILESCc1cc(C)cc(C2NCCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-9-6-10(2)8-11(7-9)13-12(14(16)17)4-3-5-15-13/h6-8,12-13,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyCHNRDZOITICICL-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-3-ylpiperidine-3-carboxylic acid
CID 83916473
(2S,3S)-2-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 82392927
2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 112716942
(2S,3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 7141550
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 17389652
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 17389651
2-[2-(3-bromo-4-methylphenyl)piperidin-3-yl]-2-oxoacetaldehyde
CID 174302438
methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 105496106
2-[(3,5-dimethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009445
trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 154832497
2-(3-fluoro-5-methylphenyl)pyrrolidin-3-ol
CID 177146546

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid (CID 83918785) is 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid is Cc1cc(C)cc(C2NCCCC2C(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid?
The InChIKey is CHNRDZOITICICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-6-10(2)8-11(7-9)13-12(14(16)17)4-3-5-15-13/h6-8,12-13,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid?
2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83918785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).