[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol

C16H19FN2O — CID 47053605

IUPAC[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(F)c3cccnc23)CC1
InChIInChI=1S/C16H19FN2O/c17-15-4-3-13(16-14(15)2-1-7-18-16)10-19-8-5-12(11-20)6-9-19/h1-4,7,12,20H,5-6,8-11H2
InChIKeyMEHDYXXZBWUNTH-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.58
Rot. Bonds3

About [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol

[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol (PubChem CID 47053605) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol
PubChem CID47053605
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(F)c3cccnc23)CC1
InChIInChI=1S/C16H19FN2O/c17-15-4-3-13(16-14(15)2-1-7-18-16)10-19-8-5-12(11-20)6-9-19/h1-4,7,12,20H,5-6,8-11H2
InChIKeyMEHDYXXZBWUNTH-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol (CID 47053605) is [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccc(F)c3cccnc23)CC1.
What is the InChIKey of [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is MEHDYXXZBWUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-15-4-3-13(16-14(15)2-1-7-18-16)10-19-8-5-12(11-20)6-9-19/h1-4,7,12,20H,5-6,8-11H2.
What are the key properties of [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol?
[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 274.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47053605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).