5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid

C18H22N2O2 — CID 122125208

IUPAC5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc2cc(CN3CC(C)CC(C(=O)O)C3)ccc2n1
InChIInChI=1S/C18H22N2O2/c1-12-7-16(18(21)22)11-20(9-12)10-14-4-6-17-15(8-14)5-3-13(2)19-17/h3-6,8,12,16H,7,9-11H2,1-2H3,(H,21,22)
InChIKeyYLFIMZKERRRJFR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.09
Rot. Bonds3

About 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid

5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 122125208) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
PubChem CID122125208
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc2cc(CN3CC(C)CC(C(=O)O)C3)ccc2n1
InChIInChI=1S/C18H22N2O2/c1-12-7-16(18(21)22)11-20(9-12)10-14-4-6-17-15(8-14)5-3-13(2)19-17/h3-6,8,12,16H,7,9-11H2,1-2H3,(H,21,22)
InChIKeyYLFIMZKERRRJFR-UHFFFAOYSA-N
XLogP3.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167885486
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
1-[(3,4-dibromophenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125340
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846809
(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 166238281
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122121535
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
CID 105379000
1-[(4-methoxynaphthalen-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125111
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid (CID 122125208) is 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid is Cc1ccc2cc(CN3CC(C)CC(C(=O)O)C3)ccc2n1.
What is the InChIKey of 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YLFIMZKERRRJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-7-16(18(21)22)11-20(9-12)10-14-4-6-17-15(8-14)5-3-13(2)19-17/h3-6,8,12,16H,7,9-11H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 3.09, 3 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-6-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122125208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).