4,7-dimethoxy-3-piperidin-3-yl-1H-indole

C15H20N2O2 — CID 82212328

IUPAC4,7-dimethoxy-3-piperidin-3-yl-1H-indole
SMILESCOc1ccc(OC)c2c(C3CCCNC3)c[nH]c12
InChIInChI=1S/C15H20N2O2/c1-18-12-5-6-13(19-2)15-14(12)11(9-17-15)10-4-3-7-16-8-10/h5-6,9-10,16-17H,3-4,7-8H2,1-2H3
InChIKeyJNIDCTKQTXSLAP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.65
Rot. Bonds3

About 4,7-dimethoxy-3-piperidin-3-yl-1H-indole

4,7-dimethoxy-3-piperidin-3-yl-1H-indole (PubChem CID 82212328) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4,7-dimethoxy-3-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name4,7-dimethoxy-3-piperidin-3-yl-1H-indole
PubChem CID82212328
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4,7-dimethoxy-3-piperidin-3-yl-1H-indole
SMILESCOc1ccc(OC)c2c(C3CCCNC3)c[nH]c12
InChIInChI=1S/C15H20N2O2/c1-18-12-5-6-13(19-2)15-14(12)11(9-17-15)10-4-3-7-16-8-10/h5-6,9-10,16-17H,3-4,7-8H2,1-2H3
InChIKeyJNIDCTKQTXSLAP-UHFFFAOYSA-N
XLogP2.65
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole
CID 84639760
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117426853
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-3-piperidin-3-yl-1H-indole?
The IUPAC name of 4,7-dimethoxy-3-piperidin-3-yl-1H-indole (CID 82212328) is 4,7-dimethoxy-3-piperidin-3-yl-1H-indole.
What is the SMILES notation for 4,7-dimethoxy-3-piperidin-3-yl-1H-indole?
The canonical SMILES for 4,7-dimethoxy-3-piperidin-3-yl-1H-indole is COc1ccc(OC)c2c(C3CCCNC3)c[nH]c12.
What is the InChIKey of 4,7-dimethoxy-3-piperidin-3-yl-1H-indole?
The InChIKey is JNIDCTKQTXSLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-12-5-6-13(19-2)15-14(12)11(9-17-15)10-4-3-7-16-8-10/h5-6,9-10,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 4,7-dimethoxy-3-piperidin-3-yl-1H-indole?
4,7-dimethoxy-3-piperidin-3-yl-1H-indole has a molecular weight of 260.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-3-piperidin-3-yl-1H-indole is sourced from PubChem (CID 82212328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).