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

C22H25FN2O — CID 71452074

IUPAC9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3ccccc3c3cc(F)ccc23)CC1
InChIInChI=1S/C22H25FN2O/c1-2-11-25-12-9-16(10-13-25)15-26-22-19-8-7-17(23)14-20(19)18-5-3-4-6-21(18)24-22/h3-8,14,16H,2,9-13,15H2,1H3
InChIKeyFUAKKVJIUKYDQT-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.03
Rot. Bonds5

About 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (PubChem CID 71452074) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.

Molecular Properties

Compound Name9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
PubChem CID71452074
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3ccccc3c3cc(F)ccc23)CC1
InChIInChI=1S/C22H25FN2O/c1-2-11-25-12-9-16(10-13-25)15-26-22-19-8-7-17(23)14-20(19)18-5-3-4-6-21(18)24-22/h3-8,14,16H,2,9-13,15H2,1H3
InChIKeyFUAKKVJIUKYDQT-UHFFFAOYSA-N
XLogP5.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.03
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 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The IUPAC name of 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (CID 71452074) is 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.
What is the SMILES notation for 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The canonical SMILES for 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is CCCN1CCC(COc2nc3ccccc3c3cc(F)ccc23)CC1.
What is the InChIKey of 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The InChIKey is FUAKKVJIUKYDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-2-11-25-12-9-16(10-13-25)15-26-22-19-8-7-17(23)14-20(19)18-5-3-4-6-21(18)24-22/h3-8,14,16H,2,9-13,15H2,1H3.
What are the key properties of 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine has a molecular weight of 352.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is sourced from PubChem (CID 71452074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).