15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C22H23FN2O — CID 15149401

IUPAC15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESFc1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C22H23FN2O/c23-15-6-9-17(10-7-15)26-13-3-12-25-16-8-11-21(25)22-18-4-1-2-5-19(18)24-20(22)14-16/h1-2,4-7,9-10,16,21,24H,3,8,11-14H2
InChIKeyGHQBNTNSLQFLLN-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.84
Rot. Bonds5

About 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149401) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149401
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESFc1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C22H23FN2O/c23-15-6-9-17(10-7-15)26-13-3-12-25-16-8-11-21(25)22-18-4-1-2-5-19(18)24-20(22)14-16/h1-2,4-7,9-10,16,21,24H,3,8,11-14H2
InChIKeyGHQBNTNSLQFLLN-UHFFFAOYSA-N
XLogP4.84
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149401) is 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Fc1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1.
What is the InChIKey of 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is GHQBNTNSLQFLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-15-6-9-17(10-7-15)26-13-3-12-25-16-8-11-21(25)22-18-4-1-2-5-19(18)24-20(22)14-16/h1-2,4-7,9-10,16,21,24H,3,8,11-14H2.
What are the key properties of 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 350.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).