3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole

C15H19BrN2 — CID 84644943

IUPAC3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole
SMILESCCc1ccc2[nH]c(C3CCCNC3)c(Br)c2c1
InChIInChI=1S/C15H19BrN2/c1-2-10-5-6-13-12(8-10)14(16)15(18-13)11-4-3-7-17-9-11/h5-6,8,11,17-18H,2-4,7,9H2,1H3
InChIKeyNINOEJMBGARFEU-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.96
Rot. Bonds2

About 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole

3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole (PubChem CID 84644943) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole
PubChem CID84644943
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole
SMILESCCc1ccc2[nH]c(C3CCCNC3)c(Br)c2c1
InChIInChI=1S/C15H19BrN2/c1-2-10-5-6-13-12(8-10)14(16)15(18-13)11-4-3-7-17-9-11/h5-6,8,11,17-18H,2-4,7,9H2,1H3
InChIKeyNINOEJMBGARFEU-UHFFFAOYSA-N
XLogP3.96
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
CID 84645185
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CID 83819662
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
3-bromo-7-chloro-2-piperidin-3-yl-1H-indole
CID 84645512
5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
CID 91174939
2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine
CID 84642822
1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
CID 84640380
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
CID 84643993
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole
CID 82379901

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole?
The IUPAC name of 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole (CID 84644943) is 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole is CCc1ccc2[nH]c(C3CCCNC3)c(Br)c2c1.
What is the InChIKey of 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole?
The InChIKey is NINOEJMBGARFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-2-10-5-6-13-12(8-10)14(16)15(18-13)11-4-3-7-17-9-11/h5-6,8,11,17-18H,2-4,7,9H2,1H3.
What are the key properties of 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole?
3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole has a molecular weight of 307.24 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 84644943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).