1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid

C16H23NO2 — CID 65065050

IUPAC1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(CN2CCC(C)(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-4-5-14(13(2)10-12)11-17-8-6-16(3,7-9-17)15(18)19/h4-5,10H,6-9,11H2,1-3H3,(H,18,19)
InChIKeyUUZYYIJJOFBKMC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.99
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid

1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 65065050) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID65065050
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(CN2CCC(C)(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-4-5-14(13(2)10-12)11-17-8-6-16(3,7-9-17)15(18)19/h4-5,10H,6-9,11H2,1-3H3,(H,18,19)
InChIKeyUUZYYIJJOFBKMC-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 106865235
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114866930
5-methyl-2-(pyrrolidin-1-ylmethyl)benzoic acid
CID 117220857
4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 56880244
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123877
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386
1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65064757
2-[1-[(2,4-dimethylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684546
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161488
1-[(2,5-dimethylphenyl)methyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55165586

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid (CID 65065050) is 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid is Cc1ccc(CN2CCC(C)(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is UUZYYIJJOFBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-5-14(13(2)10-12)11-17-8-6-16(3,7-9-17)15(18)19/h4-5,10H,6-9,11H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65065050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).