6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid

C18H22N2O2 — CID 122124527

IUPAC6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C(=O)O)CCC2C)cc2cccnc12
InChIInChI=1S/C18H22N2O2/c1-12-8-14(9-15-4-3-7-19-17(12)15)10-20-11-16(18(21)22)6-5-13(20)2/h3-4,7-9,13,16H,5-6,10-11H2,1-2H3,(H,21,22)
InChIKeyALRRZMVKUHXPMF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds3

About 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid

6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 122124527) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
PubChem CID122124527
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C(=O)O)CCC2C)cc2cccnc12
InChIInChI=1S/C18H22N2O2/c1-12-8-14(9-15-4-3-7-19-17(12)15)10-20-11-16(18(21)22)6-5-13(20)2/h3-4,7-9,13,16H,5-6,10-11H2,1-2H3,(H,21,22)
InChIKeyALRRZMVKUHXPMF-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid (CID 122124527) is 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid is Cc1cc(CN2CC(C(=O)O)CCC2C)cc2cccnc12.
What is the InChIKey of 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is ALRRZMVKUHXPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-8-14(9-15-4-3-7-19-17(12)15)10-20-11-16(18(21)22)6-5-13(20)2/h3-4,7-9,13,16H,5-6,10-11H2,1-2H3,(H,21,22).
What are the key properties of 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid?
6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122124527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).