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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Related Compounds

(2r,3r,4s)-2-(Hydroxymethyl)-1-(Quinolin-8-Ylmethyl)pyrrolidine-3,4-Diol
CID 24894045
2-{4-[2-(Trifluoromethyl)quinolin-4-yl]piperazino}ethan-1-ol
CID 2823494
2-[1-(3-Methylbut-2-en-1-yl)-4-(quinoxalin-5-ylmethyl)piperazin-2-yl]ethanol
CID 16188143
2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802
Quinoline, 4-(4-morpholinyl)-2-(2-pyridinyl)-
CID 453059
3-(4-Methyl-1-piperazinyl)quinoline
CID 12706835
Ethyl-(3-piperidin-1-yl-propyl)-quinolin-4-yl-amine; Oxalic acid
CID 10902577
Methyl-(2-piperidin-1-yl-ethyl)-quinolin-4-yl-amine; Oxalic acid
CID 10956568
Methyl-(3-piperidin-1-yl-propyl)-quinolin-4-yl-amine; Oxalic acid
CID 10978949
2-[1-Isobutyl-4-(6-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188422
2-[1-Benzyl-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 16190802
(R)-1-(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H-indol-1-yl)-3-(dimethylamino)propan-2-ol
CID 44413232

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).