5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride

C17H24BrCl2N3 — CID 171290946

IUPAC5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
SMILESBrc1ccc2[nH]cc([C@@H](C3CCC3)N3CCNCC3)c2c1.Cl.Cl
InChIInChI=1S/C17H22BrN3.2ClH/c18-13-4-5-16-14(10-13)15(11-20-16)17(12-2-1-3-12)21-8-6-19-7-9-21;;/h4-5,10-12,17,19-20H,1-3,6-9H2;2*1H/t17-;;/m1../s1
InChIKeyLTPSLQQTMAOMPY-ZEECNFPPSA-N
MW421.21 g/mol
LogP4.52
Rot. Bonds3

About 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride

5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride (PubChem CID 171290946) has the molecular formula C17H24BrCl2N3 and a molecular weight of 421.21 g/mol. Its IUPAC name is 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
PubChem CID171290946
Molecular FormulaC17H24BrCl2N3
Molecular Weight421.21 g/mol
Exact Mass419.05
IUPAC Name5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
SMILESBrc1ccc2[nH]cc([C@@H](C3CCC3)N3CCNCC3)c2c1.Cl.Cl
InChIInChI=1S/C17H22BrN3.2ClH/c18-13-4-5-16-14(10-13)15(11-20-16)17(12-2-1-3-12)21-8-6-19-7-9-21;;/h4-5,10-12,17,19-20H,1-3,6-9H2;2*1H/t17-;;/m1../s1
InChIKeyLTPSLQQTMAOMPY-ZEECNFPPSA-N
XLogP4.52
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
5-bromo-3-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171290940
1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine
CID 171276889
5-bromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290964
1-[(S)-(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171275113
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
5-bromo-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171278306
5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
CID 171290931
1-[(S)-(5-bromo-2-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171276894
5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole
CID 171278338
5-bromo-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171278337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
The IUPAC name of 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride (CID 171290946) is 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
The canonical SMILES for 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride is Brc1ccc2[nH]cc([C@@H](C3CCC3)N3CCNCC3)c2c1.Cl.Cl.
What is the InChIKey of 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
The InChIKey is LTPSLQQTMAOMPY-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H22BrN3.2ClH/c18-13-4-5-16-14(10-13)15(11-20-16)17(12-2-1-3-12)21-8-6-19-7-9-21;;/h4-5,10-12,17,19-20H,1-3,6-9H2;2*1H/t17-;;/m1../s1.
What are the key properties of 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride has a molecular weight of 421.21 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171290946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).