5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole

C17H24BrN3 — CID 171278338

IUPAC5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC(C)(C)[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1
InChIInChI=1S/C17H24BrN3/c1-17(2,3)16(21-8-6-19-7-9-21)14-11-20-15-5-4-12(18)10-13(14)15/h4-5,10-11,16,19-20H,6-9H2,1-3H3/t16-/m1/s1
InChIKeyBCTUXXGLWRMXGQ-MRXNPFEDSA-N
MW350.30 g/mol
LogP3.92
Rot. Bonds2

About 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole

5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole (PubChem CID 171278338) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole
PubChem CID171278338
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC(C)(C)[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1
InChIInChI=1S/C17H24BrN3/c1-17(2,3)16(21-8-6-19-7-9-21)14-11-20-15-5-4-12(18)10-13(14)15/h4-5,10-11,16,19-20H,6-9H2,1-3H3/t16-/m1/s1
InChIKeyBCTUXXGLWRMXGQ-MRXNPFEDSA-N
XLogP3.92
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290964
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
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-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171290940
5-bromo-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171278337
5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310197
4-bromo-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171285517
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171290946
5-bromo-3-[(1R)-1-piperazin-1-ylhexyl]-1H-indole;dihydrochloride
CID 171307876
(3R)-3-(5-bromo-1H-indol-3-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306846
5-bromo-3-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
CID 171290955

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole (CID 171278338) is 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole is CC(C)(C)[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1.
What is the InChIKey of 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole?
The InChIKey is BCTUXXGLWRMXGQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-17(2,3)16(21-8-6-19-7-9-21)14-11-20-15-5-4-12(18)10-13(14)15/h4-5,10-11,16,19-20H,6-9H2,1-3H3/t16-/m1/s1.
What are the key properties of 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole?
5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole has a molecular weight of 350.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole is sourced from PubChem (CID 171278338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).