6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline

C24H26BrFN2O — CID 25168533

IUPAC6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Br)cc2cccnc12
InChIInChI=1S/C24H26BrFN2O/c1-17(22-15-20(25)14-18-4-3-11-27-23(18)22)29-16-24(9-12-28(2)13-10-24)19-5-7-21(26)8-6-19/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3
InChIKeyIVBOKFLRQJQIKK-UHFFFAOYSA-N
MW457.39 g/mol
LogP5.88
Rot. Bonds5

About 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline

6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline (PubChem CID 25168533) has the molecular formula C24H26BrFN2O and a molecular weight of 457.39 g/mol. Its IUPAC name is 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline.

Molecular Properties

Compound Name6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
PubChem CID25168533
Molecular FormulaC24H26BrFN2O
Molecular Weight457.39 g/mol
Exact Mass456.12
IUPAC Name6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Br)cc2cccnc12
InChIInChI=1S/C24H26BrFN2O/c1-17(22-15-20(25)14-18-4-3-11-27-23(18)22)29-16-24(9-12-28(2)13-10-24)19-5-7-21(26)8-6-19/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3
InChIKeyIVBOKFLRQJQIKK-UHFFFAOYSA-N
XLogP5.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.39
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The IUPAC name of 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline (CID 25168533) is 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline.
What is the SMILES notation for 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The canonical SMILES for 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Br)cc2cccnc12.
What is the InChIKey of 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The InChIKey is IVBOKFLRQJQIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrFN2O/c1-17(22-15-20(25)14-18-4-3-11-27-23(18)22)29-16-24(9-12-28(2)13-10-24)19-5-7-21(26)8-6-19/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3.
What are the key properties of 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline has a molecular weight of 457.39 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline is sourced from PubChem (CID 25168533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).