1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine

C12H14F2N2 — CID 82820346

IUPAC1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1c(F)ccc(C)c1F
InChIInChI=1S/C12H14F2N2/c1-8-5-6-9(13)12(11(8)14)16-7-3-2-4-10(16)15/h5-6,15H,2-4,7H2,1H3/b15-10+
InChIKeyJAEDIPKVBAZUDU-XNTDXEJSSA-N
MW224.25 g/mol
LogP3.24
Rot. Bonds1

About 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine

1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine (PubChem CID 82820346) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine
PubChem CID82820346
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1c(F)ccc(C)c1F
InChIInChI=1S/C12H14F2N2/c1-8-5-6-9(13)12(11(8)14)16-7-3-2-4-10(16)15/h5-6,15H,2-4,7H2,1H3/b15-10+
InChIKeyJAEDIPKVBAZUDU-XNTDXEJSSA-N
XLogP3.24
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,6-difluoro-3-methylphenyl)piperidin-2-imine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine (CID 82820346) is 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine is [H]/N=C1\CCCCN1c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine?
The InChIKey is JAEDIPKVBAZUDU-XNTDXEJSSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-8-5-6-9(13)12(11(8)14)16-7-3-2-4-10(16)15/h5-6,15H,2-4,7H2,1H3/b15-10+.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine?
1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine has a molecular weight of 224.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine is sourced from PubChem (CID 82820346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).