5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one

C14H17FN2O — CID 175840619

IUPAC5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cccc(F)c2CCN1C1CCNCC1
InChIInChI=1S/C14H17FN2O/c15-13-3-1-2-12-11(13)6-9-17(14(12)18)10-4-7-16-8-5-10/h1-3,10,16H,4-9H2
InChIKeyWVYZCUGEPULRBT-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.58
Rot. Bonds1

About 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one

5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 175840619) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one
PubChem CID175840619
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cccc(F)c2CCN1C1CCNCC1
InChIInChI=1S/C14H17FN2O/c15-13-3-1-2-12-11(13)6-9-17(14(12)18)10-4-7-16-8-5-10/h1-3,10,16H,4-9H2
InChIKeyWVYZCUGEPULRBT-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one (CID 175840619) is 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one is O=C1c2cccc(F)c2CCN1C1CCNCC1.
What is the InChIKey of 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is WVYZCUGEPULRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-13-3-1-2-12-11(13)6-9-17(14(12)18)10-4-7-16-8-5-10/h1-3,10,16H,4-9H2.
What are the key properties of 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?
5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 248.30 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 175840619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).