5-tert-butyl-2-piperidin-2-yl-1H-indole

C17H24N2 — CID 84636218

IUPAC5-tert-butyl-2-piperidin-2-yl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(C3CCCCN3)cc2c1
InChIInChI=1S/C17H24N2/c1-17(2,3)13-7-8-14-12(10-13)11-16(19-14)15-6-4-5-9-18-15/h7-8,10-11,15,18-19H,4-6,9H2,1-3H3
InChIKeyVJVDABCMQWKLHE-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.28
Rot. Bonds1

About 5-tert-butyl-2-piperidin-2-yl-1H-indole

5-tert-butyl-2-piperidin-2-yl-1H-indole (PubChem CID 84636218) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-tert-butyl-2-piperidin-2-yl-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-piperidin-2-yl-1H-indole
PubChem CID84636218
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name5-tert-butyl-2-piperidin-2-yl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(C3CCCCN3)cc2c1
InChIInChI=1S/C17H24N2/c1-17(2,3)13-7-8-14-12(10-13)11-16(19-14)15-6-4-5-9-18-15/h7-8,10-11,15,18-19H,4-6,9H2,1-3H3
InChIKeyVJVDABCMQWKLHE-UHFFFAOYSA-N
XLogP4.28
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)piperidine
CID 4137790
2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
CID 55272809
6-chloro-7-methyl-2-piperidin-2-yl-1H-indole
CID 84633377
4-tert-butyl-2-[(2S)-pyrrolidin-2-yl]aniline
CID 66519039
2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole
CID 55263404
6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84622007
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424
6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
CID 84636801
2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol
CID 86699016
6-[1-(4-tert-butylphenyl)-5-(7-fluoro-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-2-yl]-4-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77155551
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 56838322

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-piperidin-2-yl-1H-indole?
The IUPAC name of 5-tert-butyl-2-piperidin-2-yl-1H-indole (CID 84636218) is 5-tert-butyl-2-piperidin-2-yl-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-piperidin-2-yl-1H-indole?
The canonical SMILES for 5-tert-butyl-2-piperidin-2-yl-1H-indole is CC(C)(C)c1ccc2[nH]c(C3CCCCN3)cc2c1.
What is the InChIKey of 5-tert-butyl-2-piperidin-2-yl-1H-indole?
The InChIKey is VJVDABCMQWKLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,3)13-7-8-14-12(10-13)11-16(19-14)15-6-4-5-9-18-15/h7-8,10-11,15,18-19H,4-6,9H2,1-3H3.
What are the key properties of 5-tert-butyl-2-piperidin-2-yl-1H-indole?
5-tert-butyl-2-piperidin-2-yl-1H-indole has a molecular weight of 256.39 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-piperidin-2-yl-1H-indole is sourced from PubChem (CID 84636218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).