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

C12H13F3N2O — CID 54966753

IUPAC1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)18-10-6-2-1-5-9(10)17-8-4-3-7-11(17)16/h1-2,5-6,16H,3-4,7-8H2/b16-11+
InChIKeyZLMKXKRPTLBQII-LFIBNONCSA-N
MW258.24 g/mol
LogP3.55
Rot. Bonds2

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

1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine (PubChem CID 54966753) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine
PubChem CID54966753
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)18-10-6-2-1-5-9(10)17-8-4-3-7-11(17)16/h1-2,5-6,16H,3-4,7-8H2/b16-11+
InChIKeyZLMKXKRPTLBQII-LFIBNONCSA-N
XLogP3.55
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine (CID 54966753) is 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine is [H]/N=C1\CCCCN1c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine?
The InChIKey is ZLMKXKRPTLBQII-LFIBNONCSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)18-10-6-2-1-5-9(10)17-8-4-3-7-11(17)16/h1-2,5-6,16H,3-4,7-8H2/b16-11+.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine?
1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine has a molecular weight of 258.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]piperidin-2-imine is sourced from PubChem (CID 54966753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).