4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C15H20F3N3 — CID 62330156

IUPAC4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)CC2C)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-9-5-6-21(10(2)7-9)11-3-4-12(14(19)20)13(8-11)15(16,17)18/h3-4,8-10H,5-7H2,1-2H3,(H3,19,20)
InChIKeyLIOKNZNXHWFSMD-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.61
Rot. Bonds2

About 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 62330156) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID62330156
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)CC2C)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-9-5-6-21(10(2)7-9)11-3-4-12(14(19)20)13(8-11)15(16,17)18/h3-4,8-10H,5-7H2,1-2H3,(H3,19,20)
InChIKeyLIOKNZNXHWFSMD-UHFFFAOYSA-N
XLogP3.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.61
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

AP-24592
CID 46838908
4-Piperidin-1-ylbenzenecarboximidamide
CID 21758414
4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
CID 59134564
4-[Ethyl(methyl)amino]benzene-1-carboximidamide
CID 43263484
2,6-Difluoro-3-[methyl(nonyl)amino]benzenecarboximidamide
CID 155519051
4-(Dimethylamino)-2-fluorobenzene-1-carboximidamide
CID 71695281
N,2-Dimethyl-N-phenylbenzenecarboximidamide
CID 135073016
2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
CID 3849972
5-Methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine
CID 11391094
4-(2-(S)-Ethyl-piperidin-1-yl)-2-trifluoromethyl-benzonitrile
CID 11549342
4-(2-Ethyl-piperidin-1-yl)-2-trifluoromethyl-benzonitrile
CID 11701900
1-[4-Methyl-3-(trifluoromethyl)phenyl]piperazine
CID 20364511

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 62330156) is 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(C)CC2C)cc1C(F)(F)F.
What is the InChIKey of 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is LIOKNZNXHWFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-9-5-6-21(10(2)7-9)11-3-4-12(14(19)20)13(8-11)15(16,17)18/h3-4,8-10H,5-7H2,1-2H3,(H3,19,20).
What are the key properties of 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 299.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 62330156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).