1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol

C18H24FN3O — CID 71875276

IUPAC1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C18H24FN3O/c1-2-17(23)13-22-8-6-21(7-9-22)12-15-11-16(19)10-14-4-3-5-20-18(14)15/h3-5,10-11,17,23H,2,6-9,12-13H2,1H3
InChIKeyRCNJHLISVINYQS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.26
Rot. Bonds5

About 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol

1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol (PubChem CID 71875276) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol
PubChem CID71875276
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C18H24FN3O/c1-2-17(23)13-22-8-6-21(7-9-22)12-15-11-16(19)10-14-4-3-5-20-18(14)15/h3-5,10-11,17,23H,2,6-9,12-13H2,1H3
InChIKeyRCNJHLISVINYQS-UHFFFAOYSA-N
XLogP2.26
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol (CID 71875276) is 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol is CCC(O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1.
What is the InChIKey of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol?
The InChIKey is RCNJHLISVINYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-2-17(23)13-22-8-6-21(7-9-22)12-15-11-16(19)10-14-4-3-5-20-18(14)15/h3-5,10-11,17,23H,2,6-9,12-13H2,1H3.
What are the key properties of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol?
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol has a molecular weight of 317.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 71875276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).