(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine

C12H15F3N2 — CID 69099483

IUPAC(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
SMILESC[C@@H]1CNCCN1Cc1cc(F)cc(F)c1F
InChIInChI=1S/C12H15F3N2/c1-8-6-16-2-3-17(8)7-9-4-10(13)5-11(14)12(9)15/h4-5,8,16H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyMRDBAUMAHBIYAO-MRVPVSSYSA-N
MW244.26 g/mol
LogP1.90
Rot. Bonds2

About (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine

(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine (PubChem CID 69099483) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
PubChem CID69099483
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
SMILESC[C@@H]1CNCCN1Cc1cc(F)cc(F)c1F
InChIInChI=1S/C12H15F3N2/c1-8-6-16-2-3-17(8)7-9-4-10(13)5-11(14)12(9)15/h4-5,8,16H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyMRDBAUMAHBIYAO-MRVPVSSYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 95656913
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
(2R)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpiperazine
CID 120839321
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpiperazine
CID 120837087
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-1-[(2-fluoro-3-nitrophenyl)methyl]-2-methylpiperazine
CID 107350328

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine (CID 69099483) is (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine is C[C@@H]1CNCCN1Cc1cc(F)cc(F)c1F.
What is the InChIKey of (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine?
The InChIKey is MRDBAUMAHBIYAO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-8-6-16-2-3-17(8)7-9-4-10(13)5-11(14)12(9)15/h4-5,8,16H,2-3,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine?
(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine has a molecular weight of 244.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine is sourced from PubChem (CID 69099483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).