2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol

C23H26FN3O — CID 23723820

IUPAC2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccc3cccc(F)c3n2)CCN1Cc1ccccc1
InChIInChI=1S/C23H26FN3O/c24-22-8-4-7-19-9-10-20(25-23(19)22)16-26-12-13-27(21(17-26)11-14-28)15-18-5-2-1-3-6-18/h1-10,21,28H,11-17H2
InChIKeyLIBXYFHTJDLUAD-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.44
Rot. Bonds6

About 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723820) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID23723820
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccc3cccc(F)c3n2)CCN1Cc1ccccc1
InChIInChI=1S/C23H26FN3O/c24-22-8-4-7-19-9-10-20(25-23(19)22)16-26-12-13-27(21(17-26)11-14-28)15-18-5-2-1-3-6-18/h1-10,21,28H,11-17H2
InChIKeyLIBXYFHTJDLUAD-UHFFFAOYSA-N
XLogP3.44
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Centhaquine
CID 162163
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
1-Propanol, 3-(9-acridinylamino)-
CID 150655
2-{4-[2-(Trifluoromethyl)quinolin-4-yl]piperazino}ethan-1-ol
CID 2823494
2-Benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 3845246
2-[4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-ethanol
CID 44287078
2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802
2-(4-Morpholinophenyl)quinoline
CID 1472976
2-[4-(4-Methylpiperazin-1-yl)phenyl]quinoline
CID 4263090
2-Phenyl-4-piperidin-1-ylquinoline
CID 1504001
4-(4-Morpholinyl)-2-phenylquinoline
CID 227776
4-(2-Methylpiperidino)-2-phenylquinoline
CID 453046

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol (CID 23723820) is 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol is OCCC1CN(Cc2ccc3cccc(F)c3n2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LIBXYFHTJDLUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-22-8-4-7-19-9-10-20(25-23(19)22)16-26-12-13-27(21(17-26)11-14-28)15-18-5-2-1-3-6-18/h1-10,21,28H,11-17H2.
What are the key properties of 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 379.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).