8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline

C29H28F2N2O — CID 44529537

IUPAC8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline
SMILESFc1ccc(C(OCC2CCCN(Cc3cccc4cccnc34)C2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H28F2N2O/c30-26-12-8-23(9-13-26)29(24-10-14-27(31)15-11-24)34-20-21-4-3-17-33(18-21)19-25-6-1-5-22-7-2-16-32-28(22)25/h1-2,5-16,21,29H,3-4,17-20H2
InChIKeyLYAIJNGTORAFJU-UHFFFAOYSA-N
MW458.55 g/mol
LogP6.53
Rot. Bonds7

About 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline

8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline (PubChem CID 44529537) has the molecular formula C29H28F2N2O and a molecular weight of 458.55 g/mol. Its IUPAC name is 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline
PubChem CID44529537
Molecular FormulaC29H28F2N2O
Molecular Weight458.55 g/mol
Exact Mass458.22
IUPAC Name8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline
SMILESFc1ccc(C(OCC2CCCN(Cc3cccc4cccnc34)C2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H28F2N2O/c30-26-12-8-23(9-13-26)29(24-10-14-27(31)15-11-24)34-20-21-4-3-17-33(18-21)19-25-6-1-5-22-7-2-16-32-28(22)25/h1-2,5-16,21,29H,3-4,17-20H2
InChIKeyLYAIJNGTORAFJU-UHFFFAOYSA-N
XLogP6.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.55
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Siramesine
CID 9829526
2-morpholino-6-(quinolin-8-yl)-4H-pyran-4-one
CID 16204049
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 11754399
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 10050311
7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10005023
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[1,4-dihydroisochromene-3,4'-piperidine]
CID 10322401
1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10140458
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-7-(trifluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10369465
1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10431821
1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10477563

Frequently Asked Questions

What is the IUPAC name of 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline (CID 44529537) is 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline is Fc1ccc(C(OCC2CCCN(Cc3cccc4cccnc34)C2)c2ccc(F)cc2)cc1.
What is the InChIKey of 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline?
The InChIKey is LYAIJNGTORAFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N2O/c30-26-12-8-23(9-13-26)29(24-10-14-27(31)15-11-24)34-20-21-4-3-17-33(18-21)19-25-6-1-5-22-7-2-16-32-28(22)25/h1-2,5-16,21,29H,3-4,17-20H2.
What are the key properties of 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline?
8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline has a molecular weight of 458.55 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-[bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 44529537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).