6-(4-benzylpiperazin-1-yl)phenanthridine

C24H23N3 — CID 1373123

IUPAC6-(4-benzylpiperazin-1-yl)phenanthridine
SMILESc1ccc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N3/c1-2-8-19(9-3-1)18-26-14-16-27(17-15-26)24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25-24/h1-13H,14-18H2
InChIKeyIIRYXZKXMAAGME-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.71
Rot. Bonds3

About 6-(4-benzylpiperazin-1-yl)phenanthridine

6-(4-benzylpiperazin-1-yl)phenanthridine (PubChem CID 1373123) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)phenanthridine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)phenanthridine
PubChem CID1373123
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name6-(4-benzylpiperazin-1-yl)phenanthridine
SMILESc1ccc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N3/c1-2-8-19(9-3-1)18-26-14-16-27(17-15-26)24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25-24/h1-13H,14-18H2
InChIKeyIIRYXZKXMAAGME-UHFFFAOYSA-N
XLogP4.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)phenanthridine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)phenanthridine (CID 1373123) is 6-(4-benzylpiperazin-1-yl)phenanthridine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)phenanthridine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)phenanthridine is c1ccc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)phenanthridine?
The InChIKey is IIRYXZKXMAAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-2-8-19(9-3-1)18-26-14-16-27(17-15-26)24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25-24/h1-13H,14-18H2.
What are the key properties of 6-(4-benzylpiperazin-1-yl)phenanthridine?
6-(4-benzylpiperazin-1-yl)phenanthridine has a molecular weight of 353.47 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)phenanthridine is sourced from PubChem (CID 1373123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).