4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole

C16H22N2O2 — CID 96680162

IUPAC4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1ccc(OC)c2c(CC3CCNCC3)c[nH]c12
InChIInChI=1S/C16H22N2O2/c1-19-13-3-4-14(20-2)16-15(13)12(10-18-16)9-11-5-7-17-8-6-11/h3-4,10-11,17-18H,5-9H2,1-2H3
InChIKeyYXPSTLMROICYOY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.73
Rot. Bonds4

About 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole

4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 96680162) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
PubChem CID96680162
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1ccc(OC)c2c(CC3CCNCC3)c[nH]c12
InChIInChI=1S/C16H22N2O2/c1-19-13-3-4-14(20-2)16-15(13)12(10-18-16)9-11-5-7-17-8-6-11/h3-4,10-11,17-18H,5-9H2,1-2H3
InChIKeyYXPSTLMROICYOY-UHFFFAOYSA-N
XLogP2.73
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84631561
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117426953
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole (CID 96680162) is 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole is COc1ccc(OC)c2c(CC3CCNCC3)c[nH]c12.
What is the InChIKey of 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is YXPSTLMROICYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-13-3-4-14(20-2)16-15(13)12(10-18-16)9-11-5-7-17-8-6-11/h3-4,10-11,17-18H,5-9H2,1-2H3.
What are the key properties of 4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole?
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole has a molecular weight of 274.36 g/mol, XLogP of 2.73, 4 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-4-ylmethyl)-1H-indole is sourced from PubChem (CID 96680162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).