(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone

C12H14BrFN2O — CID 82705543

IUPAC(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O/c1-8-7-15-4-5-16(8)12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyCQSFMCBCIAWMHF-MRVPVSSYSA-N
MW301.16 g/mol
LogP2.02
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone

(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 82705543) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID82705543
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O/c1-8-7-15-4-5-16(8)12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyCQSFMCBCIAWMHF-MRVPVSSYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(4-bromo-2-fluorophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735063
(2-fluoro-4-nitrophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472828
(4-bromo-2-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570706
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(2-bromo-5-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756036
(2-bromo-5-methylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755048
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 82705543) is (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is C[C@@H]1CNCCN1C(=O)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is CQSFMCBCIAWMHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-8-7-15-4-5-16(8)12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 301.16 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82705543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).