8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline

C24H27FN2O — CID 25167593

IUPAC8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline
SMILESCc1cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C24H27FN2O/c1-18-14-19-4-3-11-26-23(19)20(15-18)16-28-17-24(9-12-27(2)13-10-24)21-5-7-22(25)8-6-21/h3-8,11,14-15H,9-10,12-13,16-17H2,1-2H3
InChIKeyCJJNZVWBACSKOA-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.86
Rot. Bonds5

About 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline

8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline (PubChem CID 25167593) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline.

Molecular Properties

Compound Name8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline
PubChem CID25167593
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline
SMILESCc1cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C24H27FN2O/c1-18-14-19-4-3-11-26-23(19)20(15-18)16-28-17-24(9-12-27(2)13-10-24)21-5-7-22(25)8-6-21/h3-8,11,14-15H,9-10,12-13,16-17H2,1-2H3
InChIKeyCJJNZVWBACSKOA-UHFFFAOYSA-N
XLogP4.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
The IUPAC name of 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline (CID 25167593) is 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline.
What is the SMILES notation for 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
The canonical SMILES for 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline is Cc1cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)c2ncccc2c1.
What is the InChIKey of 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
The InChIKey is CJJNZVWBACSKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-18-14-19-4-3-11-26-23(19)20(15-18)16-28-17-24(9-12-27(2)13-10-24)21-5-7-22(25)8-6-21/h3-8,11,14-15H,9-10,12-13,16-17H2,1-2H3.
What are the key properties of 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline?
8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline has a molecular weight of 378.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methylquinoline is sourced from PubChem (CID 25167593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).