4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine

C8H12F3N3 — CID 166139789

IUPAC4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CC(C)CCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5-2-3-14(6(12)4-5)7(13)8(9,10)11/h5,12-13H,2-4H2,1H3/b12-6+,13-7+
InChIKeySOKVMYNOEOHTAR-PWHKKFIBSA-N
MW207.20 g/mol
LogP2.24
Rot. Bonds

About 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine

4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine (PubChem CID 166139789) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
PubChem CID166139789
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CC(C)CCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5-2-3-14(6(12)4-5)7(13)8(9,10)11/h5,12-13H,2-4H2,1H3/b12-6+,13-7+
InChIKeySOKVMYNOEOHTAR-PWHKKFIBSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(Trifluoromethyl)piperidin-2-imine
CID 56991411
1-(2,2,2-Trifluoroethanimidoyl)piperidin-2-imine
CID 147439403
6-Fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
CID 155700517
6-Fluoro-1-propanimidoylpiperidin-2-imine
CID 155700518
6,6-Difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
CID 155700756
1-Methanimidoyl-4-(trifluoromethyl)piperidin-2-imine
CID 168894287
1-(2,2,2-Trifluoroethyl)piperidin-2-imine
CID 61523382
N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide
CID 63176115
N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176170
N-propyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176727
N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176958
3,3,3-Trifluoro-1-piperidin-1-ylpropan-1-imine
CID 63179133

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine (CID 166139789) is 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine is [H]/N=C1\CC(C)CCN1/C(=N/[H])C(F)(F)F.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
The InChIKey is SOKVMYNOEOHTAR-PWHKKFIBSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5-2-3-14(6(12)4-5)7(13)8(9,10)11/h5,12-13H,2-4H2,1H3/b12-6+,13-7+.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine has a molecular weight of 207.20 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine is sourced from PubChem (CID 166139789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).