2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol

C23H26FN3O — CID 45240939

IUPAC2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc3cccnc23)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C23H26FN3O/c24-21-8-6-18(7-9-21)15-27-13-12-26(17-22(27)10-14-28)16-20-4-1-3-19-5-2-11-25-23(19)20/h1-9,11,22,28H,10,12-17H2
InChIKeyKNIUFGIPIXAUPE-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.44
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol

2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45240939) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45240939
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc3cccnc23)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C23H26FN3O/c24-21-8-6-18(7-9-21)15-27-13-12-26(17-22(27)10-14-28)16-20-4-1-3-19-5-2-11-25-23(19)20/h1-9,11,22,28H,10,12-17H2
InChIKeyKNIUFGIPIXAUPE-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol (CID 45240939) is 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2cccc3cccnc23)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is KNIUFGIPIXAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-21-8-6-18(7-9-21)15-27-13-12-26(17-22(27)10-14-28)16-20-4-1-3-19-5-2-11-25-23(19)20/h1-9,11,22,28H,10,12-17H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)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-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45240939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).