4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid

C19H22F2N2O2 — CID 167754601

IUPAC4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(CN2CCC(CC(F)F)(C(=O)O)CC2)c2ncccc12
InChIInChI=1S/C19H22F2N2O2/c1-13-4-5-14(17-15(13)3-2-8-22-17)12-23-9-6-19(7-10-23,18(24)25)11-16(20)21/h2-5,8,16H,6-7,9-12H2,1H3,(H,24,25)
InChIKeyDLHUOBVMQAPIKR-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.87
Rot. Bonds5

About 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid

4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 167754601) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid
PubChem CID167754601
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(CN2CCC(CC(F)F)(C(=O)O)CC2)c2ncccc12
InChIInChI=1S/C19H22F2N2O2/c1-13-4-5-14(17-15(13)3-2-8-22-17)12-23-9-6-19(7-10-23,18(24)25)11-16(20)21/h2-5,8,16H,6-7,9-12H2,1H3,(H,24,25)
InChIKeyDLHUOBVMQAPIKR-UHFFFAOYSA-N
XLogP3.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]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

7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135103826
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
1-(azepan-1-yl)-2-[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]ethanone
CID 55680173
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 105372430
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 115960548
2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid
CID 167929353
5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23765907
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 2-methylbenzoate
CID 5119641
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
CID 62490120

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid (CID 167754601) is 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid is Cc1ccc(CN2CCC(CC(F)F)(C(=O)O)CC2)c2ncccc12.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is DLHUOBVMQAPIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-13-4-5-14(17-15(13)3-2-8-22-17)12-23-9-6-19(7-10-23,18(24)25)11-16(20)21/h2-5,8,16H,6-7,9-12H2,1H3,(H,24,25).
What are the key properties of 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid?
4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 348.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167754601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).