(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride

C13H17BrClFN2O — CID 119564258

IUPAC(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(Br)c(F)c2)CC(C)N1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-8-6-17(7-9(2)16-8)13(18)10-3-4-11(14)12(15)5-10;/h3-5,8-9,16H,6-7H2,1-2H3;1H
InChIKeyPQXZWZYDEWNGFR-UHFFFAOYSA-N
MW351.65 g/mol
LogP2.83
Rot. Bonds1

About (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride

(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119564258) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119564258
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(Br)c(F)c2)CC(C)N1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-8-6-17(7-9(2)16-8)13(18)10-3-4-11(14)12(15)5-10;/h3-5,8-9,16H,6-7H2,1-2H3;1H
InChIKeyPQXZWZYDEWNGFR-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732
3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone
CID 162788159
(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203198
(2-bromo-6-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564706
(2-bromo-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564487
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[4-fluoro-3-(methoxymethyl)phenyl]methanone
CID 124589244
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124590558
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 119564258) is (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccc(Br)c(F)c2)CC(C)N1.Cl.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is PQXZWZYDEWNGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c1-8-6-17(7-9(2)16-8)13(18)10-3-4-11(14)12(15)5-10;/h3-5,8-9,16H,6-7H2,1-2H3;1H.
What are the key properties of (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119564258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).