6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine

C21H24FN3O — CID 70903846

IUPAC6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine
SMILESCOc1cc(F)cc(-c2cc3c(c(NC4CCNCC4)c2)CNC=C3)c1
InChIInChI=1S/C21H24FN3O/c1-26-19-10-16(9-17(22)12-19)15-8-14-2-5-24-13-20(14)21(11-15)25-18-3-6-23-7-4-18/h2,5,8-12,18,23-25H,3-4,6-7,13H2,1H3
InChIKeyHOPIENIZWQKDMY-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.74
Rot. Bonds4

About 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine

6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine (PubChem CID 70903846) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine
PubChem CID70903846
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine
SMILESCOc1cc(F)cc(-c2cc3c(c(NC4CCNCC4)c2)CNC=C3)c1
InChIInChI=1S/C21H24FN3O/c1-26-19-10-16(9-17(22)12-19)15-8-14-2-5-24-13-20(14)21(11-15)25-18-3-6-23-7-4-18/h2,5,8-12,18,23-25H,3-4,6-7,13H2,1H3
InChIKeyHOPIENIZWQKDMY-UHFFFAOYSA-N
XLogP3.74
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine?
The IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine (CID 70903846) is 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine is COc1cc(F)cc(-c2cc3c(c(NC4CCNCC4)c2)CNC=C3)c1.
What is the InChIKey of 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine?
The InChIKey is HOPIENIZWQKDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-26-19-10-16(9-17(22)12-19)15-8-14-2-5-24-13-20(14)21(11-15)25-18-3-6-23-7-4-18/h2,5,8-12,18,23-25H,3-4,6-7,13H2,1H3.
What are the key properties of 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine?
6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine has a molecular weight of 353.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methoxyphenyl)-N-piperidin-4-yl-1,2-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).