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

C11H15BrFN3 — CID 131260384

IUPAC1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C11H15BrFN3/c12-9-1-2-10(15-8-9)11(7-13)16-5-3-14-4-6-16/h1-2,8,11,14H,3-7H2/t11-/m1/s1
InChIKeyXDAKUHUBIAPICC-LLVKDONJSA-N
MW288.16 g/mol
LogP1.76
Rot. Bonds3

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

1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine (PubChem CID 131260384) has the molecular formula C11H15BrFN3 and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
PubChem CID131260384
Molecular FormulaC11H15BrFN3
Molecular Weight288.16 g/mol
Exact Mass287.04
IUPAC Name1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C11H15BrFN3/c12-9-1-2-10(15-8-9)11(7-13)16-5-3-14-4-6-16/h1-2,8,11,14H,3-7H2/t11-/m1/s1
InChIKeyXDAKUHUBIAPICC-LLVKDONJSA-N
XLogP1.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)butyl]piperazine
CID 171276282
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)prop-2-enyl]piperazine
CID 131444524
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine
CID 171304454
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304455
1-[(S)-(5-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276271
1-[(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
CID 171276278
5-bromo-2-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171181875

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine (CID 131260384) is 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine is FC[C@H](c1ccc(Br)cn1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine?
The InChIKey is XDAKUHUBIAPICC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15BrFN3/c12-9-1-2-10(15-8-9)11(7-13)16-5-3-14-4-6-16/h1-2,8,11,14H,3-7H2/t11-/m1/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine?
1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine has a molecular weight of 288.16 g/mol, XLogP of 1.76, 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)-2-fluoroethyl]piperazine is sourced from PubChem (CID 131260384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).