6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol

C21H23N3O — CID 137006190

IUPAC6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1ccc2c(/C=N/c3ccc(N4CCCCC4)cc3)c(O)[nH]c2c1
InChIInChI=1S/C21H23N3O/c1-15-5-10-18-19(21(25)23-20(18)13-15)14-22-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13-14,23,25H,2-4,11-12H2,1H3/b22-14+
InChIKeyDPYHLBUVWCDDEN-HYARGMPZSA-N
MW333.44 g/mol
LogP4.92
Rot. Bonds3

About 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol

6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006190) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006190
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1ccc2c(/C=N/c3ccc(N4CCCCC4)cc3)c(O)[nH]c2c1
InChIInChI=1S/C21H23N3O/c1-15-5-10-18-19(21(25)23-20(18)13-15)14-22-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13-14,23,25H,2-4,11-12H2,1H3/b22-14+
InChIKeyDPYHLBUVWCDDEN-HYARGMPZSA-N
XLogP4.92
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.92
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'}

Analyze 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 137006478
6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135481875
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
3-hydroxy-6-piperidin-1-yl-4-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-2H-isoquinolin-1-one
CID 135939819
5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996251
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605125
6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605510

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol (CID 137006190) is 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol is Cc1ccc2c(/C=N/c3ccc(N4CCCCC4)cc3)c(O)[nH]c2c1.
What is the InChIKey of 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is DPYHLBUVWCDDEN-HYARGMPZSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-5-10-18-19(21(25)23-20(18)13-15)14-22-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13-14,23,25H,2-4,11-12H2,1H3/b22-14+.
What are the key properties of 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 333.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).