2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol

C30H35FN2O2 — CID 23440902

About 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol

2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 23440902) has the molecular formula C30H35FN2O2 and a molecular weight of 474.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
• PubChem CID: 23440902
• Molecular Formula: C30H35FN2O2
• Molecular Weight: 474.62 g/mol
• Exact Mass: 474.27
• IUPAC Name: 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
• SMILES: CC(Oc1ccc(CCC2c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1)C1CCCCN1
• InChI: InChI=1S/C30H35FN2O2/c1-21(29-4-2-3-18-32-29)35-27-13-5-22(6-14-27)7-16-30-28-15-12-26(34)20-23(28)17-19-33(30)25-10-8-24(31)9-11-25/h5-6,8-15,20-21,29-30,32,34H,2-4,7,16-19H2,1H3
• InChIKey: SYHFZLCRDNTTMG-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 44.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.62
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?

The IUPAC name of 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 23440902) is 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol.

What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?

The canonical SMILES for 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol is CC(Oc1ccc(CCC2c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1)C1CCCCN1.

What is the InChIKey of 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?

The InChIKey is SYHFZLCRDNTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O2/c1-21(29-4-2-3-18-32-29)35-27-13-5-22(6-14-27)7-16-30-28-15-12-26(34)20-23(28)17-19-33(30)25-10-8-24(31)9-11-25/h5-6,8-15,20-21,29-30,32,34H,2-4,7,16-19H2,1H3.

What are the key properties of 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?

2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 474.62 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 23440902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).