3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

C15H21NO2 — CID 63132715

IUPAC3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C)c(CC2(C(=O)O)CCCNC2)c1
InChIInChI=1S/C15H21NO2/c1-11-4-5-12(2)13(8-11)9-15(14(17)18)6-3-7-16-10-15/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyFKMCUIAFTBAYDK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.30
Rot. Bonds3

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

3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 63132715) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID63132715
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C)c(CC2(C(=O)O)CCCNC2)c1
InChIInChI=1S/C15H21NO2/c1-11-4-5-12(2)13(8-11)9-15(14(17)18)6-3-7-16-10-15/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyFKMCUIAFTBAYDK-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dimethylphenyl)methyl]oxane-3-carboxylic acid
CID 63015767
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
3-[(2,5-dimethylphenyl)methyl]oxolane-3-carboxylic acid
CID 62740971
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
1-[(2,4,5-trimethylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82295399
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
6-[(2,5-dimethylphenyl)methyl]-6-methyl-1,4-diazepane
CID 82475397
ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 56753093
ethyl (3R)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 95213169
3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 104792796
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570098

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid (CID 63132715) is 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid is Cc1ccc(C)c(CC2(C(=O)O)CCCNC2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is FKMCUIAFTBAYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-5-12(2)13(8-11)9-15(14(17)18)6-3-7-16-10-15/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63132715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).