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

C13H22BrCl2N3 — CID 171289052

IUPAC1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cccc(Br)n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20BrN3.2ClH/c1-2-4-12(17-9-7-15-8-10-17)11-5-3-6-13(14)16-11;;/h3,5-6,12,15H,2,4,7-10H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyZPJHNYIOSYKNQD-CURYUGHLSA-N
MW371.15 g/mol
LogP3.43
Rot. Bonds4

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

1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride (PubChem CID 171289052) has the molecular formula C13H22BrCl2N3 and a molecular weight of 371.15 g/mol. Its IUPAC name is 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
PubChem CID171289052
Molecular FormulaC13H22BrCl2N3
Molecular Weight371.15 g/mol
Exact Mass369.04
IUPAC Name1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cccc(Br)n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20BrN3.2ClH/c1-2-4-12(17-9-7-15-8-10-17)11-5-3-6-13(14)16-11;;/h3,5-6,12,15H,2,4,7-10H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyZPJHNYIOSYKNQD-CURYUGHLSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 53.43
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-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine
CID 171308991
1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171289028
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
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
1-[(1S)-1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171289031
1-[(1S)-1-(3-bromo-2-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171276705
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289046
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276415

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride (CID 171289052) is 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1cccc(Br)n1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride?
The InChIKey is ZPJHNYIOSYKNQD-CURYUGHLSA-N. The full InChI is InChI=1S/C13H20BrN3.2ClH/c1-2-4-12(17-9-7-15-8-10-17)11-5-3-6-13(14)16-11;;/h3,5-6,12,15H,2,4,7-10H2,1H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride has a molecular weight of 371.15 g/mol, XLogP of 3.43, 4 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)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).