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

C23H25FN2 — CID 15646139

IUPAC15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESFc1ccc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C23H25FN2/c24-17-10-8-16(9-11-17)5-3-4-14-26-18-12-13-22(26)23-19-6-1-2-7-20(19)25-21(23)15-18/h1-2,6-11,18,22,25H,3-5,12-15H2
InChIKeyTYLIVIWKWHWCFT-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.39
Rot. Bonds5

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

15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15646139) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15646139
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESFc1ccc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C23H25FN2/c24-17-10-8-16(9-11-17)5-3-4-14-26-18-12-13-22(26)23-19-6-1-2-7-20(19)25-21(23)15-18/h1-2,6-11,18,22,25H,3-5,12-15H2
InChIKeyTYLIVIWKWHWCFT-UHFFFAOYSA-N
XLogP5.39
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15646139) is 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Fc1ccc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1.
What is the InChIKey of 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is TYLIVIWKWHWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c24-17-10-8-16(9-11-17)5-3-4-14-26-18-12-13-22(26)23-19-6-1-2-7-20(19)25-21(23)15-18/h1-2,6-11,18,22,25H,3-5,12-15H2.
What are the key properties of 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 348.47 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(4-fluorophenyl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15646139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).