1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine

C15H24BrN3 — CID 171308991

IUPAC1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine
SMILESCCCCC[C@@H](c1cccc(Br)n1)N1CCNCC1
InChIInChI=1S/C15H24BrN3/c1-2-3-4-7-14(19-11-9-17-10-12-19)13-6-5-8-15(16)18-13/h5-6,8,14,17H,2-4,7,9-12H2,1H3/t14-/m0/s1
InChIKeyDWOQGUVGEFLUPY-AWEZNQCLSA-N
MW326.28 g/mol
LogP3.37
Rot. Bonds6

About 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine

1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine (PubChem CID 171308991) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine
PubChem CID171308991
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine
SMILESCCCCC[C@@H](c1cccc(Br)n1)N1CCNCC1
InChIInChI=1S/C15H24BrN3/c1-2-3-4-7-14(19-11-9-17-10-12-19)13-6-5-8-15(16)18-13/h5-6,8,14,17H,2-4,7,9-12H2,1H3/t14-/m0/s1
InChIKeyDWOQGUVGEFLUPY-AWEZNQCLSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171289028
1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276428
1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171307679
1-[(1S)-1-(6-bromo-2-pyridinyl)but-3-enyl]piperazine;dihydrochloride
CID 171276411
1-[(1S)-1-(6-bromo-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308984
1-[(1S)-1-(2-bromo-6-fluorophenyl)hexyl]piperazine
CID 171163874
1-[(1S)-1-(3-bromo-2-fluorophenyl)hexyl]piperazine;hydrochloride
CID 171163924
1-[(1S)-1-(3,4-dibromophenyl)hexyl]piperazine
CID 171309713
3-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171307509
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
1-[(1S)-1-pyren-1-ylhexyl]piperazine
CID 171309801

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine?
The IUPAC name of 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine (CID 171308991) is 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine is CCCCC[C@@H](c1cccc(Br)n1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine?
The InChIKey is DWOQGUVGEFLUPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-2-3-4-7-14(19-11-9-17-10-12-19)13-6-5-8-15(16)18-13/h5-6,8,14,17H,2-4,7,9-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine?
1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine has a molecular weight of 326.28 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine is sourced from PubChem (CID 171308991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).