3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid

C14H20N2O2 — CID 114500554

IUPAC3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid
SMILESCc1cccc(NC2(C(=O)O)CCNCC2C)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-12(8-10)16-14(13(17)18)6-7-15-9-11(14)2/h3-5,8,11,15-16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyOCILYMMQMRZTLB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid

3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid (PubChem CID 114500554) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid
PubChem CID114500554
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid
SMILESCc1cccc(NC2(C(=O)O)CCNCC2C)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-12(8-10)16-14(13(17)18)6-7-15-9-11(14)2/h3-5,8,11,15-16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyOCILYMMQMRZTLB-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(3-methylanilino)oxolane-3-carboxylic acid
CID 82717416
methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114500540
4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide
CID 114499616
methyl 2-methyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 54890332
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
4-acetamido-3-methylpiperidine-4-carboxylic acid
CID 114500616
4-(3-methylanilino)thiane-4-carboxylic acid
CID 55137542
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
1-(3-fluoro-5-methylanilino)-2-methylcyclopentane-1-carboxylic acid
CID 79050443
3-(3-chloroanilino)-2-methyloxolane-3-carboxylic acid
CID 82719069
1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 114700125

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid (CID 114500554) is 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid is Cc1cccc(NC2(C(=O)O)CCNCC2C)c1.
What is the InChIKey of 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
The InChIKey is OCILYMMQMRZTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-3-5-12(8-10)16-14(13(17)18)6-7-15-9-11(14)2/h3-5,8,11,15-16H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid is sourced from PubChem (CID 114500554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).