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

C12H14F2N2O — CID 54966905

IUPAC1-[2-(difluoromethoxy)phenyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O/c13-12(14)17-10-6-2-1-5-9(10)16-8-4-3-7-11(16)15/h1-2,5-6,12,15H,3-4,7-8H2/b15-11+
InChIKeyQGCXEEOFQHJREI-RVDMUPIBSA-N
MW240.25 g/mol
LogP3.26
Rot. Bonds3

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

1-[2-(difluoromethoxy)phenyl]piperidin-2-imine (PubChem CID 54966905) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]piperidin-2-imine
PubChem CID54966905
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-[2-(difluoromethoxy)phenyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O/c13-12(14)17-10-6-2-1-5-9(10)16-8-4-3-7-11(16)15/h1-2,5-6,12,15H,3-4,7-8H2/b15-11+
InChIKeyQGCXEEOFQHJREI-RVDMUPIBSA-N
XLogP3.26
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.26
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-(difluoromethoxy)phenyl]piperidin-2-imine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine (CID 54966905) is 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine is [H]/N=C1\CCCCN1c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine?
The InChIKey is QGCXEEOFQHJREI-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-12(14)17-10-6-2-1-5-9(10)16-8-4-3-7-11(16)15/h1-2,5-6,12,15H,3-4,7-8H2/b15-11+.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine?
1-[2-(difluoromethoxy)phenyl]piperidin-2-imine has a molecular weight of 240.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]piperidin-2-imine is sourced from PubChem (CID 54966905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).