1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine

C13H20BrN3 — CID 171276282

IUPAC1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
SMILESCCC[C@@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C13H20BrN3/c1-2-3-13(17-8-6-15-7-9-17)12-5-4-11(14)10-16-12/h4-5,10,13,15H,2-3,6-9H2,1H3/t13-/m0/s1
InChIKeyWDBSROUVFOAMCZ-ZDUSSCGKSA-N
MW298.23 g/mol
LogP2.59
Rot. Bonds4

About 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine

1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine (PubChem CID 171276282) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
PubChem CID171276282
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
SMILESCCC[C@@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C13H20BrN3/c1-2-3-13(17-8-6-15-7-9-17)12-5-4-11(14)10-16-12/h4-5,10,13,15H,2-3,6-9H2,1H3/t13-/m0/s1
InChIKeyWDBSROUVFOAMCZ-ZDUSSCGKSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171307679
1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
CID 131317744
1-[(1R)-1-(5-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171288884
1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
CID 131260384
1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
CID 171276286
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine
CID 171304454
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304455
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
1-[(1R)-1-(5-bromo-2-pyridinyl)prop-2-enyl]piperazine
CID 131444524
1-[(1S)-1-(5-bromo-2-ethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171278491
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
1-[(S)-(5-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276271

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine (CID 171276282) is 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine is CCC[C@@H](c1ccc(Br)cn1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine?
The InChIKey is WDBSROUVFOAMCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-3-13(17-8-6-15-7-9-17)12-5-4-11(14)10-16-12/h4-5,10,13,15H,2-3,6-9H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine?
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine has a molecular weight of 298.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine is sourced from PubChem (CID 171276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).