8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline

C24H26F2N2O — CID 25167591

IUPAC8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline
SMILESCc1cc(COCC2(c3ccc(F)cc3F)CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C24H26F2N2O/c1-17-12-18-4-3-9-27-23(18)19(13-17)15-29-16-24(7-10-28(2)11-8-24)21-6-5-20(25)14-22(21)26/h3-6,9,12-14H,7-8,10-11,15-16H2,1-2H3
InChIKeyRYFCLQOFVHTLHE-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.00
Rot. Bonds5

About 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline

8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline (PubChem CID 25167591) has the molecular formula C24H26F2N2O and a molecular weight of 396.48 g/mol. Its IUPAC name is 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline.

Molecular Properties

Compound Name8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline
PubChem CID25167591
Molecular FormulaC24H26F2N2O
Molecular Weight396.48 g/mol
Exact Mass396.20
IUPAC Name8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline
SMILESCc1cc(COCC2(c3ccc(F)cc3F)CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C24H26F2N2O/c1-17-12-18-4-3-9-27-23(18)19(13-17)15-29-16-24(7-10-28(2)11-8-24)21-6-5-20(25)14-22(21)26/h3-6,9,12-14H,7-8,10-11,15-16H2,1-2H3
InChIKeyRYFCLQOFVHTLHE-UHFFFAOYSA-N
XLogP5.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
The IUPAC name of 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline (CID 25167591) is 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline.
What is the SMILES notation for 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
The canonical SMILES for 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline is Cc1cc(COCC2(c3ccc(F)cc3F)CCN(C)CC2)c2ncccc2c1.
What is the InChIKey of 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
The InChIKey is RYFCLQOFVHTLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O/c1-17-12-18-4-3-9-27-23(18)19(13-17)15-29-16-24(7-10-28(2)11-8-24)21-6-5-20(25)14-22(21)26/h3-6,9,12-14H,7-8,10-11,15-16H2,1-2H3.
What are the key properties of 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline has a molecular weight of 396.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(2,4-difluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline is sourced from PubChem (CID 25167591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).