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

C12H18BrN3 — CID 131317744

IUPAC1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
SMILESCC[C@@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C12H18BrN3/c1-2-12(16-7-5-14-6-8-16)11-4-3-10(13)9-15-11/h3-4,9,12,14H,2,5-8H2,1H3/t12-/m0/s1
InChIKeyVGDIPQIMAXKDIV-LBPRGKRZSA-N
MW284.20 g/mol
LogP2.20
Rot. Bonds3

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

1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine (PubChem CID 131317744) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
PubChem CID131317744
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
SMILESCC[C@@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C12H18BrN3/c1-2-12(16-7-5-14-6-8-16)11-4-3-10(13)9-15-11/h3-4,9,12,14H,2,5-8H2,1H3/t12-/m0/s1
InChIKeyVGDIPQIMAXKDIV-LBPRGKRZSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171288884
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
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)hexyl]piperazine;dihydrochloride
CID 171307679
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-(5-bromo-2-pyridinyl)prop-2-enyl]piperazine
CID 131444524
1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171289028
1-[(S)-(5-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276271
1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
CID 171282713
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine (CID 131317744) is 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine is CC[C@@H](c1ccc(Br)cn1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine?
The InChIKey is VGDIPQIMAXKDIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-12(16-7-5-14-6-8-16)11-4-3-10(13)9-15-11/h3-4,9,12,14H,2,5-8H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine?
1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine has a molecular weight of 284.20 g/mol, XLogP of 2.20, 3 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)propyl]piperazine is sourced from PubChem (CID 131317744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).