5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid

C17H20N2O2 — CID 122106797

IUPAC5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CC(C)CC(C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C17H20N2O2/c1-11-7-13(17(20)21)10-19(9-11)16-8-12(2)18-15-6-4-3-5-14(15)16/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,20,21)
InChIKeyVMXSALUIOYGHCC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.09
Rot. Bonds2

About 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid

5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 122106797) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
PubChem CID122106797
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CC(C)CC(C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C17H20N2O2/c1-11-7-13(17(20)21)10-19(9-11)16-8-12(2)18-15-6-4-3-5-14(15)16/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,20,21)
InChIKeyVMXSALUIOYGHCC-UHFFFAOYSA-N
XLogP3.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid
CID 110434121
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
CID 7138041
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
4-(2-methylquinolin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3710727
5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122106950

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid (CID 122106797) is 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid is Cc1cc(N2CC(C)CC(C(=O)O)C2)c2ccccc2n1.
What is the InChIKey of 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is VMXSALUIOYGHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-13(17(20)21)10-19(9-11)16-8-12(2)18-15-6-4-3-5-14(15)16/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid?
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122106797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).