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

C23H25F2N3O — CID 135605406

IUPAC6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCCCC1CCN(c2ccc(/N=C/c3c(O)[nH]c4cc(F)ccc34)cc2F)CC1
InChIInChI=1S/C23H25F2N3O/c1-2-3-15-8-10-28(11-9-15)22-7-5-17(13-20(22)25)26-14-19-18-6-4-16(24)12-21(18)27-23(19)29/h4-7,12-15,27,29H,2-3,8-11H2,1H3/b26-14+
InChIKeyUSTHVWWHBSEOJP-VULFUBBASA-N
MW397.47 g/mol
LogP5.92
Rot. Bonds5

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

6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605406) has the molecular formula C23H25F2N3O and a molecular weight of 397.47 g/mol. Its IUPAC name is 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605406
Molecular FormulaC23H25F2N3O
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCCCC1CCN(c2ccc(/N=C/c3c(O)[nH]c4cc(F)ccc34)cc2F)CC1
InChIInChI=1S/C23H25F2N3O/c1-2-3-15-8-10-28(11-9-15)22-7-5-17(13-20(22)25)26-14-19-18-6-4-16(24)12-21(18)27-23(19)29/h4-7,12-15,27,29H,2-3,8-11H2,1H3/b26-14+
InChIKeyUSTHVWWHBSEOJP-VULFUBBASA-N
XLogP5.92
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605406) is 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol is CCCC1CCN(c2ccc(/N=C/c3c(O)[nH]c4cc(F)ccc34)cc2F)CC1.
What is the InChIKey of 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is USTHVWWHBSEOJP-VULFUBBASA-N. The full InChI is InChI=1S/C23H25F2N3O/c1-2-3-15-8-10-28(11-9-15)22-7-5-17(13-20(22)25)26-14-19-18-6-4-16(24)12-21(18)27-23(19)29/h4-7,12-15,27,29H,2-3,8-11H2,1H3/b26-14+.
What are the key properties of 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 397.47 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).