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

C19H23FN4 — CID 70903857

IUPAC6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFC1=CNCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1
InChIInChI=1S/C19H23FN4/c20-16-8-15(10-23-11-16)14-7-13-1-4-22-12-18(13)19(9-14)24-17-2-5-21-6-3-17/h1,7-9,11-12,17,21-24H,2-6,10H2
InChIKeyMIZRQTNKGNWWBN-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.77
Rot. Bonds3

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

6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70903857) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70903857
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFC1=CNCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1
InChIInChI=1S/C19H23FN4/c20-16-8-15(10-23-11-16)14-7-13-1-4-22-12-18(13)19(9-14)24-17-2-5-21-6-3-17/h1,7-9,11-12,17,21-24H,2-6,10H2
InChIKeyMIZRQTNKGNWWBN-UHFFFAOYSA-N
XLogP0.77
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70903857) is 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is FC1=CNCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1.
What is the InChIKey of 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is MIZRQTNKGNWWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4/c20-16-8-15(10-23-11-16)14-7-13-1-4-22-12-18(13)19(9-14)24-17-2-5-21-6-3-17/h1,7-9,11-12,17,21-24H,2-6,10H2.
What are the key properties of 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 326.42 g/mol, XLogP of 0.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).