1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol

C29H34N2O2 — CID 10993930

About 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol

1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (PubChem CID 10993930) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

• Compound Name: 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
• PubChem CID: 10993930
• Molecular Formula: C29H34N2O2
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.26
• IUPAC Name: 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
• SMILES: CC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1
• InChI: InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3
• InChIKey: AIFWSSWVFCKBHO-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?

The IUPAC name of 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (CID 10993930) is 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.

What is the SMILES notation for 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?

The canonical SMILES for 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is CC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1.

What is the InChIKey of 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?

The InChIKey is AIFWSSWVFCKBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3.

What are the key properties of 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?

1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol has a molecular weight of 442.60 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 10993930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).