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

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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).