5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole

C16H22N2O — CID 82500153

IUPAC5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1cc(C)c2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C16H22N2O/c1-11-7-14(19-2)9-15-13(10-18-16(11)15)8-12-3-5-17-6-4-12/h7,9-10,12,17-18H,3-6,8H2,1-2H3
InChIKeyLRTDIXOGIORCLK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.03
Rot. Bonds3

About 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole

5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 82500153) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
PubChem CID82500153
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1cc(C)c2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C16H22N2O/c1-11-7-14(19-2)9-15-13(10-18-16(11)15)8-12-3-5-17-6-4-12/h7,9-10,12,17-18H,3-6,8H2,1-2H3
InChIKeyLRTDIXOGIORCLK-UHFFFAOYSA-N
XLogP3.03
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84632477
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 117488368
7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84631561
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole (CID 82500153) is 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole is COc1cc(C)c2[nH]cc(CC3CCNCC3)c2c1.
What is the InChIKey of 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is LRTDIXOGIORCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-7-14(19-2)9-15-13(10-18-16(11)15)8-12-3-5-17-6-4-12/h7,9-10,12,17-18H,3-6,8H2,1-2H3.
What are the key properties of 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole has a molecular weight of 258.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole is sourced from PubChem (CID 82500153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).