1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine

C12H12BrF3N2O — CID 103193483

IUPAC1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H12BrF3N2O/c13-8-4-5-9(10(7-8)19-12(14,15)16)18-6-2-1-3-11(18)17/h4-5,7,17H,1-3,6H2/b17-11+
InChIKeyNGYASEOAPKPMHQ-GZTJUZNOSA-N
MW337.14 g/mol
LogP4.32
Rot. Bonds2

About 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine

1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine (PubChem CID 103193483) has the molecular formula C12H12BrF3N2O and a molecular weight of 337.14 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine
PubChem CID103193483
Molecular FormulaC12H12BrF3N2O
Molecular Weight337.14 g/mol
Exact Mass336.01
IUPAC Name1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H12BrF3N2O/c13-8-4-5-9(10(7-8)19-12(14,15)16)18-6-2-1-3-11(18)17/h4-5,7,17H,1-3,6H2/b17-11+
InChIKeyNGYASEOAPKPMHQ-GZTJUZNOSA-N
XLogP4.32
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dibromophenyl)pyrrolidin-2-imine
CID 61474511
1-(6-bromonaphthalen-2-yl)piperidin-2-imine
CID 81260115
1-(2-bromo-5-fluorophenyl)piperidin-2-imine
CID 107636513
1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine
CID 81279925
1-(2,4-difluorophenyl)pyrrolidin-2-imine
CID 4007146
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 103193574
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-2-imine
CID 65490840
1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
CID 104779800
8-[4-bromo-2-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-one
CID 103193617
1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-2-imine
CID 54966703
S-[1-[4-bromo-2-(trifluoromethoxy)phenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706730
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-propylpiperazine
CID 103193691

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine (CID 103193483) is 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine is [H]/N=C1\CCCCN1c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine?
The InChIKey is NGYASEOAPKPMHQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C12H12BrF3N2O/c13-8-4-5-9(10(7-8)19-12(14,15)16)18-6-2-1-3-11(18)17/h4-5,7,17H,1-3,6H2/b17-11+.
What are the key properties of 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine?
1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine has a molecular weight of 337.14 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine is sourced from PubChem (CID 103193483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).