6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol

C24H28FN3O — CID 135605125

IUPAC6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(CCCCN2CCCCC2)cc1
InChIInChI=1S/C24H28FN3O/c25-19-9-12-21-22(24(29)27-23(21)16-19)17-26-20-10-7-18(8-11-20)6-2-5-15-28-13-3-1-4-14-28/h7-12,16-17,27,29H,1-6,13-15H2/b26-17+
InChIKeyAQUSMEDFNKZJFA-YZSQISJMSA-N
MW393.51 g/mol
LogP5.57
Rot. Bonds7

About 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol

6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605125) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605125
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(CCCCN2CCCCC2)cc1
InChIInChI=1S/C24H28FN3O/c25-19-9-12-21-22(24(29)27-23(21)16-19)17-26-20-10-7-18(8-11-20)6-2-5-15-28-13-3-1-4-14-28/h7-12,16-17,27,29H,1-6,13-15H2/b26-17+
InChIKeyAQUSMEDFNKZJFA-YZSQISJMSA-N
XLogP5.57
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605125) is 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol is Oc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(CCCCN2CCCCC2)cc1.
What is the InChIKey of 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is AQUSMEDFNKZJFA-YZSQISJMSA-N. The full InChI is InChI=1S/C24H28FN3O/c25-19-9-12-21-22(24(29)27-23(21)16-19)17-26-20-10-7-18(8-11-20)6-2-5-15-28-13-3-1-4-14-28/h7-12,16-17,27,29H,1-6,13-15H2/b26-17+.
What are the key properties of 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol?
6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 393.51 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).