4-methyl-1-(2-piperidin-4-ylethyl)indole

C16H22N2 — CID 61348096

IUPAC4-methyl-1-(2-piperidin-4-ylethyl)indole
SMILESCc1cccc2c1ccn2CCC1CCNCC1
InChIInChI=1S/C16H22N2/c1-13-3-2-4-16-15(13)8-12-18(16)11-7-14-5-9-17-10-6-14/h2-4,8,12,14,17H,5-7,9-11H2,1H3
InChIKeyUPFLGAYQCSBWEQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.34
Rot. Bonds3

About 4-methyl-1-(2-piperidin-4-ylethyl)indole

4-methyl-1-(2-piperidin-4-ylethyl)indole (PubChem CID 61348096) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-methyl-1-(2-piperidin-4-ylethyl)indole.

Molecular Properties

Compound Name4-methyl-1-(2-piperidin-4-ylethyl)indole
PubChem CID61348096
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-methyl-1-(2-piperidin-4-ylethyl)indole
SMILESCc1cccc2c1ccn2CCC1CCNCC1
InChIInChI=1S/C16H22N2/c1-13-3-2-4-16-15(13)8-12-18(16)11-7-14-5-9-17-10-6-14/h2-4,8,12,14,17H,5-7,9-11H2,1H3
InChIKeyUPFLGAYQCSBWEQ-UHFFFAOYSA-N
XLogP3.34
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole
CID 178026750
4-methyl-1-(piperazin-1-ylmethyl)indole
CID 68552361
N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 63504513
2-methyl-4-(4-methylindol-1-yl)butan-2-ol
CID 116620378
[1-(2-cyclopropylethyl)indol-4-yl]methanamine
CID 107919256
4-fluoro-1-(2-piperidin-3-ylethyl)indole
CID 82792919
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
4-methyl-1-(piperidin-4-ylmethyl)indazole
CID 84692855
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
1-(3-methoxypropyl)-4-methylindole
CID 116620203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperidin-4-ylethyl)indole?
The IUPAC name of 4-methyl-1-(2-piperidin-4-ylethyl)indole (CID 61348096) is 4-methyl-1-(2-piperidin-4-ylethyl)indole.
What is the SMILES notation for 4-methyl-1-(2-piperidin-4-ylethyl)indole?
The canonical SMILES for 4-methyl-1-(2-piperidin-4-ylethyl)indole is Cc1cccc2c1ccn2CCC1CCNCC1.
What is the InChIKey of 4-methyl-1-(2-piperidin-4-ylethyl)indole?
The InChIKey is UPFLGAYQCSBWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-3-2-4-16-15(13)8-12-18(16)11-7-14-5-9-17-10-6-14/h2-4,8,12,14,17H,5-7,9-11H2,1H3.
What are the key properties of 4-methyl-1-(2-piperidin-4-ylethyl)indole?
4-methyl-1-(2-piperidin-4-ylethyl)indole has a molecular weight of 242.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-piperidin-4-ylethyl)indole is sourced from PubChem (CID 61348096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).