1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride

C12H20BrCl2N3 — CID 171289028

IUPAC1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cccc(Br)n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18BrN3.2ClH/c1-2-11(16-8-6-14-7-9-16)10-4-3-5-12(13)15-10;;/h3-5,11,14H,2,6-9H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyKJRUVGCGJOLKJW-NVJADKKVSA-N
MW357.12 g/mol
LogP3.04
Rot. Bonds3

About 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride

1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride (PubChem CID 171289028) has the molecular formula C12H20BrCl2N3 and a molecular weight of 357.12 g/mol. Its IUPAC name is 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
PubChem CID171289028
Molecular FormulaC12H20BrCl2N3
Molecular Weight357.12 g/mol
Exact Mass355.02
IUPAC Name1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cccc(Br)n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18BrN3.2ClH/c1-2-11(16-8-6-14-7-9-16)10-4-3-5-12(13)15-10;;/h3-5,11,14H,2,6-9H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyKJRUVGCGJOLKJW-NVJADKKVSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine
CID 171308991
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(1S)-1-(6-bromo-2-pyridinyl)but-3-enyl]piperazine;dihydrochloride
CID 171276411
1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276428
1-[(1R)-1-(5-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171288884
1-[(1S)-1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171289031
1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
CID 131317744
1-[(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289046
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276415
1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
CID 171282713
1-[(1S)-1-(3-bromo-2-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171276688

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride (CID 171289028) is 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride is CC[C@H](c1cccc(Br)n1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride?
The InChIKey is KJRUVGCGJOLKJW-NVJADKKVSA-N. The full InChI is InChI=1S/C12H18BrN3.2ClH/c1-2-11(16-8-6-14-7-9-16)10-4-3-5-12(13)15-10;;/h3-5,11,14H,2,6-9H2,1H3;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride?
1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride has a molecular weight of 357.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).