(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine

C12H14BrF3N2 — CID 107287003

IUPAC(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine
SMILESC[C@@H]1CN(c2cc(Br)ccc2C(F)(F)F)CCN1
InChIInChI=1S/C12H14BrF3N2/c1-8-7-18(5-4-17-8)11-6-9(13)2-3-10(11)12(14,15)16/h2-3,6,8,17H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyVLRGXPPAOSGKKT-MRVPVSSYSA-N
MW323.16 g/mol
LogP3.27
Rot. Bonds1

About (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine

(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine (PubChem CID 107287003) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine
PubChem CID107287003
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine
SMILESC[C@@H]1CN(c2cc(Br)ccc2C(F)(F)F)CCN1
InChIInChI=1S/C12H14BrF3N2/c1-8-7-18(5-4-17-8)11-6-9(13)2-3-10(11)12(14,15)16/h2-3,6,8,17H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyVLRGXPPAOSGKKT-MRVPVSSYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 107289828
3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 66477775
1-[5-bromo-2-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde
CID 107290037
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
2-[1-[5-bromo-2-(trifluoromethyl)phenyl]azetidin-3-yl]propanoic acid
CID 107285677
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
8-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydro-1H-isoquinoline
CID 134561959
8-[(3R)-3-methylpiperazin-1-yl]-2-phenyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 118396253
(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 103696653
(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 94502238
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine (CID 107287003) is (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine is C[C@@H]1CN(c2cc(Br)ccc2C(F)(F)F)CCN1.
What is the InChIKey of (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine?
The InChIKey is VLRGXPPAOSGKKT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c1-8-7-18(5-4-17-8)11-6-9(13)2-3-10(11)12(14,15)16/h2-3,6,8,17H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine?
(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine has a molecular weight of 323.16 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine is sourced from PubChem (CID 107287003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).