3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline

C27H25FN2O — CID 174699647

IUPAC3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline
SMILESCOc1ccc(C2CCN(c3nc4ccccc4cc3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H25FN2O/c1-31-24-12-8-19(9-13-24)20-14-16-30(17-15-20)27-25(21-6-10-23(28)11-7-21)18-22-4-2-3-5-26(22)29-27/h2-13,18,20H,14-17H2,1H3
InChIKeySZVBGUPGWGAJFV-UHFFFAOYSA-N
MW412.51 g/mol
LogP6.43
Rot. Bonds4

About 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline

3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline (PubChem CID 174699647) has the molecular formula C27H25FN2O and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline
PubChem CID174699647
Molecular FormulaC27H25FN2O
Molecular Weight412.51 g/mol
Exact Mass412.20
IUPAC Name3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline
SMILESCOc1ccc(C2CCN(c3nc4ccccc4cc3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H25FN2O/c1-31-24-12-8-19(9-13-24)20-14-16-30(17-15-20)27-25(21-6-10-23(28)11-7-21)18-22-4-2-3-5-26(22)29-27/h2-13,18,20H,14-17H2,1H3
InChIKeySZVBGUPGWGAJFV-UHFFFAOYSA-N
XLogP6.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline (CID 174699647) is 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline is COc1ccc(C2CCN(c3nc4ccccc4cc3-c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline?
The InChIKey is SZVBGUPGWGAJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O/c1-31-24-12-8-19(9-13-24)20-14-16-30(17-15-20)27-25(21-6-10-23(28)11-7-21)18-22-4-2-3-5-26(22)29-27/h2-13,18,20H,14-17H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline?
3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline has a molecular weight of 412.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoline is sourced from PubChem (CID 174699647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).