1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol

C22H25N3O — CID 136935383

IUPAC1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol
SMILESCC1CCN(c2ccc(/N=C/c3c(O)n(C)c4ccccc34)cc2)CC1
InChIInChI=1S/C22H25N3O/c1-16-11-13-25(14-12-16)18-9-7-17(8-10-18)23-15-20-19-5-3-4-6-21(19)24(2)22(20)26/h3-10,15-16,26H,11-14H2,1-2H3/b23-15+
InChIKeyWUHNXKGNHOPMEP-HZHRSRAPSA-N
MW347.46 g/mol
LogP4.87
Rot. Bonds3

About 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol

1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol (PubChem CID 136935383) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol
PubChem CID136935383
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol
SMILESCC1CCN(c2ccc(/N=C/c3c(O)n(C)c4ccccc34)cc2)CC1
InChIInChI=1S/C22H25N3O/c1-16-11-13-25(14-12-16)18-9-7-17(8-10-18)23-15-20-19-5-3-4-6-21(19)24(2)22(20)26/h3-10,15-16,26H,11-14H2,1-2H3/b23-15+
InChIKeyWUHNXKGNHOPMEP-HZHRSRAPSA-N
XLogP4.87
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
CID 136935335
3-(cycloheptyliminomethyl)-1-methylindol-2-ol
CID 136935322
5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996251
3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91543672
1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
CID 136935292
1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983
1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol
CID 136935362
[4-(4-methylpiperidin-1-yl)phenyl]methylidenehydrazine
CID 168530817
ethane;4-methyl-1-phenylpiperidine
CID 143180672
3-hydroxy-2-pyridin-2-yl-4-[(4-pyrrolidin-1-ylphenyl)iminomethyl]isoquinolin-1-one
CID 135709408
4-[[4-(3,5-dimethylpiperazin-1-yl)phenyl]iminomethyl]-3-hydroxy-2H-isoquinolin-1-one
CID 172720500
4-(4-methylpiperidin-1-yl)benzoate
CID 7023615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol (CID 136935383) is 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol is CC1CCN(c2ccc(/N=C/c3c(O)n(C)c4ccccc34)cc2)CC1.
What is the InChIKey of 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol?
The InChIKey is WUHNXKGNHOPMEP-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-11-13-25(14-12-16)18-9-7-17(8-10-18)23-15-20-19-5-3-4-6-21(19)24(2)22(20)26/h3-10,15-16,26H,11-14H2,1-2H3/b23-15+.
What are the key properties of 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol?
1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol has a molecular weight of 347.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol is sourced from PubChem (CID 136935383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).