5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole

C19H29N3 — CID 82277483

IUPAC5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESCC(C)(C)c1ccc2[nH]cc(CCCN3CCNCC3)c2c1
InChIInChI=1S/C19H29N3/c1-19(2,3)16-6-7-18-17(13-16)15(14-21-18)5-4-10-22-11-8-20-9-12-22/h6-7,13-14,20-21H,4-5,8-12H2,1-3H3
InChIKeyJZDQHSOHAWWWIL-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.30
Rot. Bonds4

About 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole

5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole (PubChem CID 82277483) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
PubChem CID82277483
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESCC(C)(C)c1ccc2[nH]cc(CCCN3CCNCC3)c2c1
InChIInChI=1S/C19H29N3/c1-19(2,3)16-6-7-18-17(13-16)15(14-21-18)5-4-10-22-11-8-20-9-12-22/h6-7,13-14,20-21H,4-5,8-12H2,1-3H3
InChIKeyJZDQHSOHAWWWIL-UHFFFAOYSA-N
XLogP3.30
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
CID 116996532
5-chloro-3-[3-[6-(3-piperazin-1-ylpropoxy)-2H-pyridin-1-yl]propyl]-1H-indole
CID 165176811
3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine
CID 67655236
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
The IUPAC name of 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole (CID 82277483) is 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole.
What is the SMILES notation for 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
The canonical SMILES for 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole is CC(C)(C)c1ccc2[nH]cc(CCCN3CCNCC3)c2c1.
What is the InChIKey of 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
The InChIKey is JZDQHSOHAWWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-19(2,3)16-6-7-18-17(13-16)15(14-21-18)5-4-10-22-11-8-20-9-12-22/h6-7,13-14,20-21H,4-5,8-12H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole has a molecular weight of 299.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole is sourced from PubChem (CID 82277483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).