5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride

C18H27ClN2O — CID 21313363

IUPAC5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride
SMILESCOc1ccc2[nH]c(C)c(CCN3CCCCC3C)c2c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-13-6-4-5-10-20(13)11-9-16-14(2)19-18-8-7-15(21-3)12-17(16)18;/h7-8,12-13,19H,4-6,9-11H2,1-3H3;1H
InChIKeyVKNJAJDFISKDLS-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.32
Rot. Bonds4

About 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride

5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride (PubChem CID 21313363) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride
PubChem CID21313363
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride
SMILESCOc1ccc2[nH]c(C)c(CCN3CCCCC3C)c2c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-13-6-4-5-10-20(13)11-9-16-14(2)19-18-8-7-15(21-3)12-17(16)18;/h7-8,12-13,19H,4-6,9-11H2,1-3H3;1H
InChIKeyVKNJAJDFISKDLS-UHFFFAOYSA-N
XLogP4.32
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
CID 21313343
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3586267
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
CID 171934524
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride?
The IUPAC name of 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride (CID 21313363) is 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride.
What is the SMILES notation for 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride?
The canonical SMILES for 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride is COc1ccc2[nH]c(C)c(CCN3CCCCC3C)c2c1.Cl.
What is the InChIKey of 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride?
The InChIKey is VKNJAJDFISKDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-13-6-4-5-10-20(13)11-9-16-14(2)19-18-8-7-15(21-3)12-17(16)18;/h7-8,12-13,19H,4-6,9-11H2,1-3H3;1H.
What are the key properties of 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride?
5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride is sourced from PubChem (CID 21313363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).