8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol

C26H28FN3O — CID 86274183

IUPAC8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol
SMILESOC1CCc2cccc(C3CCN(Cc4cncc(-c5ccc(F)cc5)c4)CC3)c2N1
InChIInChI=1S/C26H28FN3O/c27-23-7-4-19(5-8-23)22-14-18(15-28-16-22)17-30-12-10-20(11-13-30)24-3-1-2-21-6-9-25(31)29-26(21)24/h1-5,7-8,14-16,20,25,29,31H,6,9-13,17H2
InChIKeyYYNFGQZETLPXLY-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.94
Rot. Bonds4

About 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol

8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol (PubChem CID 86274183) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol.

Molecular Properties

Compound Name8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol
PubChem CID86274183
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol
SMILESOC1CCc2cccc(C3CCN(Cc4cncc(-c5ccc(F)cc5)c4)CC3)c2N1
InChIInChI=1S/C26H28FN3O/c27-23-7-4-19(5-8-23)22-14-18(15-28-16-22)17-30-12-10-20(11-13-30)24-3-1-2-21-6-9-25(31)29-26(21)24/h1-5,7-8,14-16,20,25,29,31H,6,9-13,17H2
InChIKeyYYNFGQZETLPXLY-UHFFFAOYSA-N
XLogP4.94
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol?
The IUPAC name of 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol (CID 86274183) is 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol.
What is the SMILES notation for 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol?
The canonical SMILES for 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol is OC1CCc2cccc(C3CCN(Cc4cncc(-c5ccc(F)cc5)c4)CC3)c2N1.
What is the InChIKey of 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol?
The InChIKey is YYNFGQZETLPXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c27-23-7-4-19(5-8-23)22-14-18(15-28-16-22)17-30-12-10-20(11-13-30)24-3-1-2-21-6-9-25(31)29-26(21)24/h1-5,7-8,14-16,20,25,29,31H,6,9-13,17H2.
What are the key properties of 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol?
8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol has a molecular weight of 417.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,2,3,4-tetrahydroquinolin-2-ol is sourced from PubChem (CID 86274183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).