5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol

C21H22ClN3O — CID 136996251

IUPAC5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCC1CCN(c2ccc(/N=C/c3c(O)[nH]c4ccc(Cl)cc34)cc2)CC1
InChIInChI=1S/C21H22ClN3O/c1-14-8-10-25(11-9-14)17-5-3-16(4-6-17)23-13-19-18-12-15(22)2-7-20(18)24-21(19)26/h2-7,12-14,24,26H,8-11H2,1H3/b23-13+
InChIKeySVDHCBNNBJHPPT-YDZHTSKRSA-N
MW367.88 g/mol
LogP5.51
Rot. Bonds3

About 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol

5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 136996251) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID136996251
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCC1CCN(c2ccc(/N=C/c3c(O)[nH]c4ccc(Cl)cc34)cc2)CC1
InChIInChI=1S/C21H22ClN3O/c1-14-8-10-25(11-9-14)17-5-3-16(4-6-17)23-13-19-18-12-15(22)2-7-20(18)24-21(19)26/h2-7,12-14,24,26H,8-11H2,1H3/b23-13+
InChIKeySVDHCBNNBJHPPT-YDZHTSKRSA-N
XLogP5.51
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.51
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 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol (CID 136996251) is 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol is CC1CCN(c2ccc(/N=C/c3c(O)[nH]c4ccc(Cl)cc34)cc2)CC1.
What is the InChIKey of 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is SVDHCBNNBJHPPT-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-14-8-10-25(11-9-14)17-5-3-16(4-6-17)23-13-19-18-12-15(22)2-7-20(18)24-21(19)26/h2-7,12-14,24,26H,8-11H2,1H3/b23-13+.
What are the key properties of 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol?
5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 367.88 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136996251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).