5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride

C15H23Cl2N3O — CID 171286352

IUPAC5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESCOc1ccc2[nH]cc([C@@H](C)N3CCNCC3)c2c1.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-11(18-7-5-16-6-8-18)14-10-17-15-4-3-12(19-2)9-13(14)15;;/h3-4,9-11,16-17H,5-8H2,1-2H3;2*1H/t11-;;/m1../s1
InChIKeyBNSMCOWNAXWQDX-NVJADKKVSA-N
MW332.28 g/mol
LogP2.99
Rot. Bonds3

About 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride

5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (PubChem CID 171286352) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
PubChem CID171286352
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESCOc1ccc2[nH]cc([C@@H](C)N3CCNCC3)c2c1.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-11(18-7-5-16-6-8-18)14-10-17-15-4-3-12(19-2)9-13(14)15;;/h3-4,9-11,16-17H,5-8H2,1-2H3;2*1H/t11-;;/m1../s1
InChIKeyBNSMCOWNAXWQDX-NVJADKKVSA-N
XLogP2.99
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171273728
5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171273725
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
5-methoxy-3-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole
CID 171273735
5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
CID 171308695
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
5-methoxy-3-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
CID 171273749
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171290106
1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The IUPAC name of 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (CID 171286352) is 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The canonical SMILES for 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride is COc1ccc2[nH]cc([C@@H](C)N3CCNCC3)c2c1.Cl.Cl.
What is the InChIKey of 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The InChIKey is BNSMCOWNAXWQDX-NVJADKKVSA-N. The full InChI is InChI=1S/C15H21N3O.2ClH/c1-11(18-7-5-16-6-8-18)14-10-17-15-4-3-12(19-2)9-13(14)15;;/h3-4,9-11,16-17H,5-8H2,1-2H3;2*1H/t11-;;/m1../s1.
What are the key properties of 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride has a molecular weight of 332.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171286352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).