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

C20H24F2N4 — CID 70903987

IUPAC6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFC(F)C1=CNCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1
InChIInChI=1S/C20H24F2N4/c21-20(22)16-8-15(10-25-11-16)14-7-13-1-4-24-12-18(13)19(9-14)26-17-2-5-23-6-3-17/h1,7-9,11-12,17,20,23-26H,2-6,10H2
InChIKeySBZUQCFILDAOQQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.11
Rot. Bonds4

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

6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70903987) has the molecular formula C20H24F2N4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70903987
Molecular FormulaC20H24F2N4
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFC(F)C1=CNCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1
InChIInChI=1S/C20H24F2N4/c21-20(22)16-8-15(10-25-11-16)14-7-13-1-4-24-12-18(13)19(9-14)26-17-2-5-23-6-3-17/h1,7-9,11-12,17,20,23-26H,2-6,10H2
InChIKeySBZUQCFILDAOQQ-UHFFFAOYSA-N
XLogP1.11
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70903987) is 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is FC(F)C1=CNCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1.
What is the InChIKey of 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is SBZUQCFILDAOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4/c21-20(22)16-8-15(10-25-11-16)14-7-13-1-4-24-12-18(13)19(9-14)26-17-2-5-23-6-3-17/h1,7-9,11-12,17,20,23-26H,2-6,10H2.
What are the key properties of 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 358.44 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).