6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine

C24H24N4 — CID 23314020

IUPAC6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine
SMILESNc1ccc2c(c1)nc(N1CCC(c3ccccc3)CC1)c1cc(N)ccc12
InChIInChI=1S/C24H24N4/c25-18-6-8-20-21-9-7-19(26)15-23(21)27-24(22(20)14-18)28-12-10-17(11-13-28)16-4-2-1-3-5-16/h1-9,14-15,17H,10-13,25-26H2
InChIKeyXFYDRPGJWNSAQK-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.94
Rot. Bonds2

About 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine

6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine (PubChem CID 23314020) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine.

Molecular Properties

Compound Name6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine
PubChem CID23314020
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine
SMILESNc1ccc2c(c1)nc(N1CCC(c3ccccc3)CC1)c1cc(N)ccc12
InChIInChI=1S/C24H24N4/c25-18-6-8-20-21-9-7-19(26)15-23(21)27-24(22(20)14-18)28-12-10-17(11-13-28)16-4-2-1-3-5-16/h1-9,14-15,17H,10-13,25-26H2
InChIKeyXFYDRPGJWNSAQK-UHFFFAOYSA-N
XLogP4.94
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine?
The IUPAC name of 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine (CID 23314020) is 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine.
What is the SMILES notation for 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine?
The canonical SMILES for 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine is Nc1ccc2c(c1)nc(N1CCC(c3ccccc3)CC1)c1cc(N)ccc12.
What is the InChIKey of 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine?
The InChIKey is XFYDRPGJWNSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c25-18-6-8-20-21-9-7-19(26)15-23(21)27-24(22(20)14-18)28-12-10-17(11-13-28)16-4-2-1-3-5-16/h1-9,14-15,17H,10-13,25-26H2.
What are the key properties of 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine?
6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine has a molecular weight of 368.48 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperidin-1-yl)phenanthridine-3,8-diamine is sourced from PubChem (CID 23314020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).