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

C20H24F2N4 — CID 70904129

IUPAC6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFC(F)C1=CCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C=N1
InChIInChI=1S/C20H24F2N4/c21-20(22)18-2-1-14(11-25-18)15-9-13-3-6-24-12-17(13)19(10-15)26-16-4-7-23-8-5-16/h2-3,9-12,14,16,20,23-24,26H,1,4-8H2
InChIKeyWAGXGOHBMTVOGF-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.68
Rot. Bonds4

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

6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70904129) has the molecular formula C20H24F2N4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70904129
Molecular FormulaC20H24F2N4
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFC(F)C1=CCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C=N1
InChIInChI=1S/C20H24F2N4/c21-20(22)18-2-1-14(11-25-18)15-9-13-3-6-24-12-17(13)19(10-15)26-16-4-7-23-8-5-16/h2-3,9-12,14,16,20,23-24,26H,1,4-8H2
InChIKeyWAGXGOHBMTVOGF-UHFFFAOYSA-N
XLogP1.68
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70904129) is 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is FC(F)C1=CCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C=N1.
What is the InChIKey of 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is WAGXGOHBMTVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4/c21-20(22)18-2-1-14(11-25-18)15-9-13-3-6-24-12-17(13)19(10-15)26-16-4-7-23-8-5-16/h2-3,9-12,14,16,20,23-24,26H,1,4-8H2.
What are the key properties of 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 358.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70904129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).