1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole

C18H26N2 — CID 170254751

IUPAC1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole
SMILESCC(C)c1ccc2c(C3CCN(C)CC3)cn(C)c2c1
InChIInChI=1S/C18H26N2/c1-13(2)15-5-6-16-17(12-20(4)18(16)11-15)14-7-9-19(3)10-8-14/h5-6,11-14H,7-10H2,1-4H3
InChIKeyTYFMIYOEOBHSPG-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.11
Rot. Bonds2

About 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole

1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole (PubChem CID 170254751) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole.

Molecular Properties

Compound Name1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole
PubChem CID170254751
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole
SMILESCC(C)c1ccc2c(C3CCN(C)CC3)cn(C)c2c1
InChIInChI=1S/C18H26N2/c1-13(2)15-5-6-16-17(12-20(4)18(16)11-15)14-7-9-19(3)10-8-14/h5-6,11-14H,7-10H2,1-4H3
InChIKeyTYFMIYOEOBHSPG-UHFFFAOYSA-N
XLogP4.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole
CID 58512228
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837
1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine
CID 138711170
N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine
CID 135234997
2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 118055205
3-(1-methylpiperidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1-tri(propan-2-yl)silylindol-6-amine
CID 58512385
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
3-(1,6-dimethylindol-3-yl)cyclopentan-1-one
CID 70798448
3-cyclopropyl-1-methylpyrrolo[2,3-c]pyridine;ethane
CID 167522006
bromo 3-cyclopentyl-1-methylindole-6-carboxylate
CID 141325350
3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine
CID 174415365
1-[4-(1-methylpiperidin-4-yl)phenyl]ethanol
CID 58103926

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole?
The IUPAC name of 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole (CID 170254751) is 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole.
What is the SMILES notation for 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole?
The canonical SMILES for 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole is CC(C)c1ccc2c(C3CCN(C)CC3)cn(C)c2c1.
What is the InChIKey of 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole?
The InChIKey is TYFMIYOEOBHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(2)15-5-6-16-17(12-20(4)18(16)11-15)14-7-9-19(3)10-8-14/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole?
1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole has a molecular weight of 270.42 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole is sourced from PubChem (CID 170254751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).