5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol

C30H32N2O3 — CID 146957059

About 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol

5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol (PubChem CID 146957059) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol.

Molecular Properties

• Compound Name: 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol
• PubChem CID: 146957059
• Molecular Formula: C30H32N2O3
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.24
• IUPAC Name: 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol
• SMILES: Oc1ccc2c3c(ccc2c1)C1=C(CC(O)C=C1)CN3c1ccc(OCCN2CCCCC2)cc1
• InChI: InChI=1S/C30H32N2O3/c33-24-8-13-28-21(18-24)4-11-29-27-12-7-25(34)19-22(27)20-32(30(28)29)23-5-9-26(10-6-23)35-17-16-31-14-2-1-3-15-31/h4-13,18,25,33-34H,1-3,14-17,19-20H2
• InChIKey: AJVPMGCECYZDKB-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 56.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol?

The IUPAC name of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol (CID 146957059) is 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol.

What is the SMILES notation for 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol?

The canonical SMILES for 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol is Oc1ccc2c3c(ccc2c1)C1=C(CC(O)C=C1)CN3c1ccc(OCCN2CCCCC2)cc1.

What is the InChIKey of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol?

The InChIKey is AJVPMGCECYZDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c33-24-8-13-28-21(18-24)4-11-29-27-12-7-25(34)19-22(27)20-32(30(28)29)23-5-9-26(10-6-23)35-17-16-31-14-2-1-3-15-31/h4-13,18,25,33-34H,1-3,14-17,19-20H2.

What are the key properties of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol?

5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol has a molecular weight of 468.60 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol is sourced from PubChem (CID 146957059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).