6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline

C22H26Cl2N2 — CID 141072071

About 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline

6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 141072071) has the molecular formula C22H26Cl2N2 and a molecular weight of 389.37 g/mol. Its IUPAC name is 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline
• PubChem CID: 141072071
• Molecular Formula: C22H26Cl2N2
• Molecular Weight: 389.37 g/mol
• Exact Mass: 388.15
• IUPAC Name: 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline
• SMILES: CC1CCCCN1c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1
• InChI: InChI=1S/C22H26Cl2N2/c1-15-6-3-4-9-26(15)18-8-5-7-16(10-18)20-13-25(2)14-21-19(20)11-17(23)12-22(21)24/h5,7-8,10-12,15,20H,3-4,6,9,13-14H2,1-2H3
• InChIKey: LKQVHYPIIWPRIO-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.37
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline?

The IUPAC name of 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline (CID 141072071) is 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline is CC1CCCCN1c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.

What is the InChIKey of 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline?

The InChIKey is LKQVHYPIIWPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2/c1-15-6-3-4-9-26(15)18-8-5-7-16(10-18)20-13-25(2)14-21-19(20)11-17(23)12-22(21)24/h5,7-8,10-12,15,20H,3-4,6,9,13-14H2,1-2H3.

What are the key properties of 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline?

6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 389.37 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141072071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).