(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

C14H17BrFN3O — CID 66203198

IUPAC(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H17BrFN3O/c15-12-2-1-10(7-13(12)16)14(20)19-8-11(9-19)18-5-3-17-4-6-18/h1-2,7,11,17H,3-6,8-9H2
InChIKeyZLQGPSKXMZABFO-UHFFFAOYSA-N
MW342.21 g/mol
LogP1.32
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 66203198) has the molecular formula C14H17BrFN3O and a molecular weight of 342.21 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID66203198
Molecular FormulaC14H17BrFN3O
Molecular Weight342.21 g/mol
Exact Mass341.05
IUPAC Name(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H17BrFN3O/c15-12-2-1-10(7-13(12)16)14(20)19-8-11(9-19)18-5-3-17-4-6-18/h1-2,7,11,17H,3-6,8-9H2
InChIKeyZLQGPSKXMZABFO-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 66203787
(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564258
3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone
CID 162788159
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(3-chloro-4-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103209579
1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66195384
(2-bromo-5-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 81111440
(3-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66202818
(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
[1-(4-bromo-3-fluorobenzoyl)piperidin-2-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403924
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
(3-bromo-5-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995836

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 66203198) is (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone is O=C(c1ccc(Br)c(F)c1)N1CC(N2CCNCC2)C1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is ZLQGPSKXMZABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O/c15-12-2-1-10(7-13(12)16)14(20)19-8-11(9-19)18-5-3-17-4-6-18/h1-2,7,11,17H,3-6,8-9H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 342.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 66203198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).