1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol

C15H17FN2O — CID 47030241

IUPAC1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C15H17FN2O/c16-14-6-5-11(15-13(14)4-1-7-17-15)9-18-8-2-3-12(19)10-18/h1,4-7,12,19H,2-3,8-10H2
InChIKeyRRRLFNCMZXLHHX-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.33
Rot. Bonds2

About 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol

1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol (PubChem CID 47030241) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol
PubChem CID47030241
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C15H17FN2O/c16-14-6-5-11(15-13(14)4-1-7-17-15)9-18-8-2-3-12(19)10-18/h1,4-7,12,19H,2-3,8-10H2
InChIKeyRRRLFNCMZXLHHX-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.33
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-3-ol?
The IUPAC name of 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol (CID 47030241) is 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol is OC1CCCN(Cc2ccc(F)c3cccnc23)C1.
What is the InChIKey of 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol?
The InChIKey is RRRLFNCMZXLHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-14-6-5-11(15-13(14)4-1-7-17-15)9-18-8-2-3-12(19)10-18/h1,4-7,12,19H,2-3,8-10H2.
What are the key properties of 1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol?
1-[(5-fluoroquinolin-8-yl)methyl]piperidin-3-ol has a molecular weight of 260.31 g/mol, XLogP of 2.33, 2 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-3-ol is sourced from PubChem (CID 47030241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).