4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid

C23H24N2O2 — CID 56917304

IUPAC4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(Cc3ccccc3)(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C23H24N2O2/c1-17-15-21(24-20-10-6-5-9-19(17)20)25-13-11-23(12-14-25,22(26)27)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,26,27)
InChIKeyFIHXHBZRUKKHDZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.46
Rot. Bonds4

About 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid

4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid (PubChem CID 56917304) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
PubChem CID56917304
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(Cc3ccccc3)(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C23H24N2O2/c1-17-15-21(24-20-10-6-5-9-19(17)20)25-13-11-23(12-14-25,22(26)27)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,26,27)
InChIKeyFIHXHBZRUKKHDZ-UHFFFAOYSA-N
XLogP4.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid (CID 56917304) is 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid is Cc1cc(N2CCC(Cc3ccccc3)(C(=O)O)CC2)nc2ccccc12.
What is the InChIKey of 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is FIHXHBZRUKKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-15-21(24-20-10-6-5-9-19(17)20)25-13-11-23(12-14-25,22(26)27)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,26,27).
What are the key properties of 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56917304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).