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

C22H24FN3O2 — CID 135605510

IUPAC6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C22H24FN3O2/c23-16-4-9-19-20(22(27)25-21(19)14-16)15-24-17-5-7-18(8-6-17)28-13-12-26-10-2-1-3-11-26/h4-9,14-15,25,27H,1-3,10-13H2/b24-15+
InChIKeyHOARSBNCBPEKMW-BUVRLJJBSA-N
MW381.45 g/mol
LogP4.63
Rot. Bonds6

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

6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605510) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605510
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C22H24FN3O2/c23-16-4-9-19-20(22(27)25-21(19)14-16)15-24-17-5-7-18(8-6-17)28-13-12-26-10-2-1-3-11-26/h4-9,14-15,25,27H,1-3,10-13H2/b24-15+
InChIKeyHOARSBNCBPEKMW-BUVRLJJBSA-N
XLogP4.63
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605125
6-fluoro-3-[[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605098
3-[[4-(4-butylpiperazin-1-yl)-3-methylphenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605429
6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605323
5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238
6-fluoro-3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605406
N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20986071
6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90873924
(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
CID 88520305
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[2-(4-azidophenoxy)ethyl]azepane
CID 150834626
3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605510) is 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol is Oc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is HOARSBNCBPEKMW-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-16-4-9-19-20(22(27)25-21(19)14-16)15-24-17-5-7-18(8-6-17)28-13-12-26-10-2-1-3-11-26/h4-9,14-15,25,27H,1-3,10-13H2/b24-15+.
What are the key properties of 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol?
6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 381.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).