(2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine

C19H22BrFN2 — CID 146529572

IUPAC(2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN[C@@H](C)CN1C(c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C19H22BrFN2/c1-13-12-23(14(2)11-22-13)19(15-7-9-16(21)10-8-15)17-5-3-4-6-18(17)20/h3-10,13-14,19,22H,11-12H2,1-2H3/t13-,14+,19?/m0/s1
InChIKeyYGXIRGPUIKCUDB-PFCANICASA-N
MW377.30 g/mol
LogP4.36
Rot. Bonds3

About (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine

(2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 146529572) has the molecular formula C19H22BrFN2 and a molecular weight of 377.30 g/mol. Its IUPAC name is (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine
PubChem CID146529572
Molecular FormulaC19H22BrFN2
Molecular Weight377.30 g/mol
Exact Mass376.10
IUPAC Name(2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN[C@@H](C)CN1C(c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C19H22BrFN2/c1-13-12-23(14(2)11-22-13)19(15-7-9-16(21)10-8-15)17-5-3-4-6-18(17)20/h3-10,13-14,19,22H,11-12H2,1-2H3/t13-,14+,19?/m0/s1
InChIKeyYGXIRGPUIKCUDB-PFCANICASA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-1-[(4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2,5-dimethylpiperazine;hydrochloride
CID 170433702
3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol
CID 56974492
5-[(R)-[2-(1-bromo-4-methylpiperidin-4-yl)phenyl]-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-[(3-fluorophenyl)methyl]phenol
CID 141476298
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine
CID 23447952
propan-2-yl 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetate
CID 156538836
N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 163974810
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
4-[[(2R,5S)-2-ethyl-5-methylpiperazin-1-yl]-(4-fluorophenyl)methyl]benzonitrile;hydrochloride
CID 170433814
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595
4-[(4-fluorophenyl)-[(2S,5S)-2-(methoxymethyl)-5-methylpiperazin-1-yl]methyl]benzonitrile
CID 146466366
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine (CID 146529572) is (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine is C[C@@H]1CN[C@@H](C)CN1C(c1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is YGXIRGPUIKCUDB-PFCANICASA-N. The full InChI is InChI=1S/C19H22BrFN2/c1-13-12-23(14(2)11-22-13)19(15-7-9-16(21)10-8-15)17-5-3-4-6-18(17)20/h3-10,13-14,19,22H,11-12H2,1-2H3/t13-,14+,19?/m0/s1.
What are the key properties of (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine?
(2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 377.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 146529572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).