2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol

C24H32N2O3S — CID 46953599

IUPAC2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
SMILESCC1Cc2cc(C(O)CN3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C24H32N2O3S/c1-18-14-22-16-21(8-9-23(22)26(18)30(2,28)29)24(27)17-25-12-10-20(11-13-25)15-19-6-4-3-5-7-19/h3-9,16,18,20,24,27H,10-15,17H2,1-2H3
InChIKeyKZGJRDISBGFNIZ-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol

2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 46953599) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
PubChem CID46953599
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
SMILESCC1Cc2cc(C(O)CN3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C24H32N2O3S/c1-18-14-22-16-21(8-9-23(22)26(18)30(2,28)29)24(27)17-25-12-10-20(11-13-25)15-19-6-4-3-5-7-19/h3-9,16,18,20,24,27H,10-15,17H2,1-2H3
InChIKeyKZGJRDISBGFNIZ-UHFFFAOYSA-N
XLogP3.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 5308534
1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 20866266
1-{5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydro-1H-indol-1-yl}-1-ethanone
CID 13472298
1-[5-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
CID 20866262
1-[5-[2-[4-(2-Fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
CID 20866263
1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 20866268
1-[5-[1-Hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone
CID 6619807
1-[5-[2-[Benzyl(methyl)amino]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
CID 6625028
1-{5-[2-(4-cyclohexylpiperazino)-1-hydroxyethyl]-2,3-dihydro-1H-indol-1-yl}-1-ethanone
CID 6625251
1-[5-[2-[4-(4-Fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
CID 16676485
1-[5-[2-[4-(2-Fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 16676716
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethanol
CID 16677127

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol (CID 46953599) is 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol is CC1Cc2cc(C(O)CN3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is KZGJRDISBGFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18-14-22-16-21(8-9-23(22)26(18)30(2,28)29)24(27)17-25-12-10-20(11-13-25)15-19-6-4-3-5-7-19/h3-9,16,18,20,24,27H,10-15,17H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol?
2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 428.60 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 46953599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).