6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

C20H25FN4 — CID 70903868

IUPAC6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFCC1=CC=C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)CN1
InChIInChI=1S/C20H25FN4/c21-11-18-2-1-15(12-24-18)16-9-14-3-6-23-13-19(14)20(10-16)25-17-4-7-22-8-5-17/h1-3,9-10,13,17,22-25H,4-8,11-12H2
InChIKeyLSCUJDIEMXTOGI-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.81
Rot. Bonds4

About 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70903868) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70903868
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFCC1=CC=C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)CN1
InChIInChI=1S/C20H25FN4/c21-11-18-2-1-15(12-24-18)16-9-14-3-6-23-13-19(14)20(10-16)25-17-4-7-22-8-5-17/h1-3,9-10,13,17,22-25H,4-8,11-12H2
InChIKeyLSCUJDIEMXTOGI-UHFFFAOYSA-N
XLogP0.81
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70903868) is 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is FCC1=CC=C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)CN1.
What is the InChIKey of 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is LSCUJDIEMXTOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c21-11-18-2-1-15(12-24-18)16-9-14-3-6-23-13-19(14)20(10-16)25-17-4-7-22-8-5-17/h1-3,9-10,13,17,22-25H,4-8,11-12H2.
What are the key properties of 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 340.45 g/mol, XLogP of 0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).