3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole

C23H28N2 — CID 59920990

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
SMILESCC1CCCC(C)N1CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H28N2/c1-17-9-8-10-18(2)25(17)16-15-21-20-13-6-7-14-22(20)24-23(21)19-11-4-3-5-12-19/h3-7,11-14,17-18,24H,8-10,15-16H2,1-2H3
InChIKeyIAJFTUWHMUCGBY-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.64
Rot. Bonds4

About 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole

3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole (PubChem CID 59920990) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
PubChem CID59920990
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
SMILESCC1CCCC(C)N1CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H28N2/c1-17-9-8-10-18(2)25(17)16-15-21-20-13-6-7-14-22(20)24-23(21)19-11-4-3-5-12-19/h3-7,11-14,17-18,24H,8-10,15-16H2,1-2H3
InChIKeyIAJFTUWHMUCGBY-UHFFFAOYSA-N
XLogP5.64
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole
CID 59921018
6-hydroxy-1-[2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-2-one
CID 15425455
3-[2-[3-ethyl-2-methyl-5-[(Z)-prop-1-enyl]piperidin-1-yl]ethyl]-2-phenyl-1H-indole
CID 134566223
2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
CID 69323264
3-[(1-methylpyrrolidin-3-yl)methyl]-2-phenyl-1H-indole;oxalic acid
CID 18403268
2-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
CID 59921038
(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine
CID 59920970
2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid
CID 15342294
2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 59920997
3-[(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)methyl]-2-phenyl-1H-indole;oxalic acid
CID 18403269
trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
CID 11452145

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole (CID 59920990) is 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole is CC1CCCC(C)N1CCc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
The InChIKey is IAJFTUWHMUCGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-17-9-8-10-18(2)25(17)16-15-21-20-13-6-7-14-22(20)24-23(21)19-11-4-3-5-12-19/h3-7,11-14,17-18,24H,8-10,15-16H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole has a molecular weight of 332.49 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 59920990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).