5-(1-methylethyl)-3-[(1-methylpiperidin-4-yl)thio]-1H-indole

HCID 19936628
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Basic information

Standard SMILES
CC(C)c1ccc2[nH]cc(SC3CCN(C)CC3)c2c1
InChIKey
OLFIQZIMRAIDRU-UHFFFAOYSA-N
Molecular formula
C17H24N2S
Average molar mass
288.5 g/mol
Monoisotopic mass
288.16601995

Names & identifiers

Preferred name
5-(1-methylethyl)-3-[(1-methylpiperidin-4-yl)thio]-1H-indole
IUPAC
3-(1-methylpiperidin-4-yl)sulfanyl-5-propan-2-yl-1H-indole

Names & synonyms

CHEMBL436442SCHEMBL9173510OLFIQZIMRAIDRU-UHFFFAOYSA-N5-(1-methylethyl)-3-[(1-methylpiperidin-4-yl)thio]-1H-indole

Database identifiers

PubChem CID
19936628
ChEMBL
CHEMBL436442
Nikkaji
J1.292.916A

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
44.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
20

Related reactions

1 records
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Compound notes

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