3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide

C15H20F3N3 — CID 111037394

IUPAC3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3N3/c1-11-3-2-8-21(10-11)14(19)20-9-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3,(H2,19,20)
InChIKeyBAFVCLHPVDPXRJ-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.25
Rot. Bonds2

About 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide

3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111037394) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111037394
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3N3/c1-11-3-2-8-21(10-11)14(19)20-9-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3,(H2,19,20)
InChIKeyBAFVCLHPVDPXRJ-UHFFFAOYSA-N
XLogP3.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
3-methyl-N'-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-1-carboximidamide
CID 122097455
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
3-methyl-N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048077
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
3-methyl-N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142722397
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048307
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 158187066
N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide (CID 111037394) is 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is BAFVCLHPVDPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-11-3-2-8-21(10-11)14(19)20-9-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3,(H2,19,20).
What are the key properties of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide?
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 299.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111037394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).