1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol

C23H26FN3O — CID 10177755

IUPAC1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol
SMILESOC(CCCN1CCN(c2cccc3cccnc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O/c24-20-10-8-18(9-11-20)22(28)7-3-13-26-14-16-27(17-15-26)21-6-1-4-19-5-2-12-25-23(19)21/h1-2,4-6,8-12,22,28H,3,7,13-17H2
InChIKeySRBGLXCLGXKFBX-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol

1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol (PubChem CID 10177755) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol
PubChem CID10177755
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol
SMILESOC(CCCN1CCN(c2cccc3cccnc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O/c24-20-10-8-18(9-11-20)22(28)7-3-13-26-14-16-27(17-15-26)21-6-1-4-19-5-2-12-25-23(19)21/h1-2,4-6,8-12,22,28H,3,7,13-17H2
InChIKeySRBGLXCLGXKFBX-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol (CID 10177755) is 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol is OC(CCCN1CCN(c2cccc3cccnc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol?
The InChIKey is SRBGLXCLGXKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-20-10-8-18(9-11-20)22(28)7-3-13-26-14-16-27(17-15-26)21-6-1-4-19-5-2-12-25-23(19)21/h1-2,4-6,8-12,22,28H,3,7,13-17H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol?
1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol has a molecular weight of 379.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 10177755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).