5-tert-butyl-1-methyl-3-piperidin-4-ylindole

C18H26N2 — CID 58080359

IUPAC5-tert-butyl-1-methyl-3-piperidin-4-ylindole
SMILESCn1cc(C2CCNCC2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C18H26N2/c1-18(2,3)14-5-6-17-15(11-14)16(12-20(17)4)13-7-9-19-10-8-13/h5-6,11-13,19H,7-10H2,1-4H3
InChIKeyIHLAYTKRQPMXAY-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.94
Rot. Bonds1

About 5-tert-butyl-1-methyl-3-piperidin-4-ylindole

5-tert-butyl-1-methyl-3-piperidin-4-ylindole (PubChem CID 58080359) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-3-piperidin-4-ylindole.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-3-piperidin-4-ylindole
PubChem CID58080359
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5-tert-butyl-1-methyl-3-piperidin-4-ylindole
SMILESCn1cc(C2CCNCC2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C18H26N2/c1-18(2,3)14-5-6-17-15(11-14)16(12-20(17)4)13-7-9-19-10-8-13/h5-6,11-13,19H,7-10H2,1-4H3
InChIKeyIHLAYTKRQPMXAY-UHFFFAOYSA-N
XLogP3.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-1-methyl-3-piperidin-4-ylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-3-piperidin-4-ylindole?
The IUPAC name of 5-tert-butyl-1-methyl-3-piperidin-4-ylindole (CID 58080359) is 5-tert-butyl-1-methyl-3-piperidin-4-ylindole.
What is the SMILES notation for 5-tert-butyl-1-methyl-3-piperidin-4-ylindole?
The canonical SMILES for 5-tert-butyl-1-methyl-3-piperidin-4-ylindole is Cn1cc(C2CCNCC2)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-1-methyl-3-piperidin-4-ylindole?
The InChIKey is IHLAYTKRQPMXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-18(2,3)14-5-6-17-15(11-14)16(12-20(17)4)13-7-9-19-10-8-13/h5-6,11-13,19H,7-10H2,1-4H3.
What are the key properties of 5-tert-butyl-1-methyl-3-piperidin-4-ylindole?
5-tert-butyl-1-methyl-3-piperidin-4-ylindole has a molecular weight of 270.42 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-3-piperidin-4-ylindole is sourced from PubChem (CID 58080359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).