6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole

C18H28N2 — CID 112710647

IUPAC6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCN1CCC(C2CNc3cc(C(C)(C)C)ccc32)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)14-5-6-15-16(12-19-17(15)11-14)13-7-9-20(4)10-8-13/h5-6,11,13,16,19H,7-10,12H2,1-4H3
InChIKeyXIBFBINZDXXFOF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.84
Rot. Bonds1

About 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole

6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole (PubChem CID 112710647) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
PubChem CID112710647
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCN1CCC(C2CNc3cc(C(C)(C)C)ccc32)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)14-5-6-15-16(12-19-17(15)11-14)13-7-9-20(4)10-8-13/h5-6,11,13,16,19H,7-10,12H2,1-4H3
InChIKeyXIBFBINZDXXFOF-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine
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[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane
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1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 14931742
3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
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6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
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4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine
CID 164933870
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84626454
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 130466941
5-tert-butyl-3-(2,2-dimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986461
3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
CID 141196849

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole (CID 112710647) is 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole is CN1CCC(C2CNc3cc(C(C)(C)C)ccc32)CC1.
What is the InChIKey of 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is XIBFBINZDXXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2,3)14-5-6-15-16(12-19-17(15)11-14)13-7-9-20(4)10-8-13/h5-6,11,13,16,19H,7-10,12H2,1-4H3.
What are the key properties of 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole?
6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 272.44 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 112710647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).