2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline

C29H29F2N3O — CID 10504664

IUPAC2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline
SMILESFc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H29F2N3O/c30-25-10-5-23(6-11-25)29(24-7-12-26(31)13-8-24)35-20-19-33-15-17-34(18-16-33)21-27-14-9-22-3-1-2-4-28(22)32-27/h1-14,29H,15-21H2
InChIKeyUZULFJXPKRYCSG-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.44
Rot. Bonds8

About 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline

2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline (PubChem CID 10504664) has the molecular formula C29H29F2N3O and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline
PubChem CID10504664
Molecular FormulaC29H29F2N3O
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline
SMILESFc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H29F2N3O/c30-25-10-5-23(6-11-25)29(24-7-12-26(31)13-8-24)35-20-19-33-15-17-34(18-16-33)21-27-14-9-22-3-1-2-4-28(22)32-27/h1-14,29H,15-21H2
InChIKeyUZULFJXPKRYCSG-UHFFFAOYSA-N
XLogP5.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline with MolForge

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Related Compounds

2-(4,5-Dihydro-2-oxazolyl)quinoline
CID 828047
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)-1H-indole
CID 9981761
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidin-1-yl)methyl)-1H-indole
CID 10994187
3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 9891637
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-1H-indole
CID 10477510
3-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10552447
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-quinoline
CID 10599113
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10599695
6-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10624311
6-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-quinoline
CID 10717844
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-quinoline
CID 10789128
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10789674

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline?
The IUPAC name of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline (CID 10504664) is 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline is Fc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline?
The InChIKey is UZULFJXPKRYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O/c30-25-10-5-23(6-11-25)29(24-7-12-26(31)13-8-24)35-20-19-33-15-17-34(18-16-33)21-27-14-9-22-3-1-2-4-28(22)32-27/h1-14,29H,15-21H2.
What are the key properties of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline?
2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline has a molecular weight of 473.57 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 10504664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).