3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole

C16H22N2 — CID 730166

IUPAC3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole
SMILESCC[C@@H]1CCCCN1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2/c1-2-14-7-5-6-10-18(14)12-13-11-17-16-9-4-3-8-15(13)16/h3-4,8-9,11,14,17H,2,5-7,10,12H2,1H3/t14-/m1/s1
InChIKeyQRUIXROOBRASNA-CQSZACIVSA-N
MW242.37 g/mol
LogP3.93
Rot. Bonds3

About 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole

3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole (PubChem CID 730166) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole
PubChem CID730166
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole
SMILESCC[C@@H]1CCCCN1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2/c1-2-14-7-5-6-10-18(14)12-13-11-17-16-9-4-3-8-15(13)16/h3-4,8-9,11,14,17H,2,5-7,10,12H2,1H3/t14-/m1/s1
InChIKeyQRUIXROOBRASNA-CQSZACIVSA-N
XLogP3.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
CID 115642542
tert-butyl (2S)-1-(1H-indol-3-ylmethyl)piperidine-2-carboxylate
CID 110189012
3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole
CID 24839561
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
1-(1H-indol-3-ylmethyl)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 57445854
2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol
CID 135950417
2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43266553
1-[[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 171141392
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-1H-indole
CID 113086472
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole (CID 730166) is 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole is CC[C@@H]1CCCCN1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole?
The InChIKey is QRUIXROOBRASNA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-14-7-5-6-10-18(14)12-13-11-17-16-9-4-3-8-15(13)16/h3-4,8-9,11,14,17H,2,5-7,10,12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole?
3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 730166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).