5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole

C18H26BrN3 — CID 171310197

IUPAC5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
SMILESCC(C)CC[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1
InChIInChI=1S/C18H26BrN3/c1-13(2)3-6-18(22-9-7-20-8-10-22)16-12-21-17-5-4-14(19)11-15(16)17/h4-5,11-13,18,20-21H,3,6-10H2,1-2H3/t18-/m0/s1
InChIKeyIWSWNIFLBNQSSB-SFHVURJKSA-N
MW364.33 g/mol
LogP4.31
Rot. Bonds5

About 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole

5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole (PubChem CID 171310197) has the molecular formula C18H26BrN3 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
PubChem CID171310197
Molecular FormulaC18H26BrN3
Molecular Weight364.33 g/mol
Exact Mass363.13
IUPAC Name5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
SMILESCC(C)CC[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1
InChIInChI=1S/C18H26BrN3/c1-13(2)3-6-18(22-9-7-20-8-10-22)16-12-21-17-5-4-14(19)11-15(16)17/h4-5,11-13,18,20-21H,3,6-10H2,1-2H3/t18-/m0/s1
InChIKeyIWSWNIFLBNQSSB-SFHVURJKSA-N
XLogP4.31
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171278337
5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
CID 171290931
5-bromo-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171278306
5-bromo-3-[(1R)-1-piperazin-1-ylhexyl]-1H-indole;dihydrochloride
CID 171307876
5-bromo-3-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171290940
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
(3R)-3-(5-bromo-1H-indol-3-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306846
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole
CID 171278338
5-bromo-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310144
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole (CID 171310197) is 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole is CC(C)CC[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1.
What is the InChIKey of 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
The InChIKey is IWSWNIFLBNQSSB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26BrN3/c1-13(2)3-6-18(22-9-7-20-8-10-22)16-12-21-17-5-4-14(19)11-15(16)17/h4-5,11-13,18,20-21H,3,6-10H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole has a molecular weight of 364.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole is sourced from PubChem (CID 171310197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).