2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

C23H28N2O2 — CID 71462780

IUPAC2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3ccc(OC)cc3c3ccccc23)CC1
InChIInChI=1S/C23H28N2O2/c1-3-12-25-13-10-17(11-14-25)16-27-23-20-7-5-4-6-19(20)21-15-18(26-2)8-9-22(21)24-23/h4-9,15,17H,3,10-14,16H2,1-2H3
InChIKeyUNTKPDCHLNXXQO-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.90
Rot. Bonds6

About 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (PubChem CID 71462780) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.

Molecular Properties

Compound Name2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
PubChem CID71462780
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3ccc(OC)cc3c3ccccc23)CC1
InChIInChI=1S/C23H28N2O2/c1-3-12-25-13-10-17(11-14-25)16-27-23-20-7-5-4-6-19(20)21-15-18(26-2)8-9-22(21)24-23/h4-9,15,17H,3,10-14,16H2,1-2H3
InChIKeyUNTKPDCHLNXXQO-UHFFFAOYSA-N
XLogP4.90
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The IUPAC name of 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (CID 71462780) is 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.
What is the SMILES notation for 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The canonical SMILES for 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is CCCN1CCC(COc2nc3ccc(OC)cc3c3ccccc23)CC1.
What is the InChIKey of 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The InChIKey is UNTKPDCHLNXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-12-25-13-10-17(11-14-25)16-27-23-20-7-5-4-6-19(20)21-15-18(26-2)8-9-22(21)24-23/h4-9,15,17H,3,10-14,16H2,1-2H3.
What are the key properties of 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine has a molecular weight of 364.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is sourced from PubChem (CID 71462780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).