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

C14H19F3IN3 — CID 111026746

IUPACN'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H18F3N3.HI/c15-14(16,17)12-6-4-5-11(9-12)10-19-13(18)20-7-2-1-3-8-20;/h4-6,9H,1-3,7-8,10H2,(H2,18,19);1H
InChIKeyWYYYYWBAWKRRIV-UHFFFAOYSA-N
MW413.23 g/mol
LogP3.62
Rot. Bonds2

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

N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111026746) has the molecular formula C14H19F3IN3 and a molecular weight of 413.23 g/mol. Its IUPAC name is N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111026746
Molecular FormulaC14H19F3IN3
Molecular Weight413.23 g/mol
Exact Mass413.06
IUPAC NameN'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H18F3N3.HI/c15-14(16,17)12-6-4-5-11(9-12)10-19-13(18)20-7-2-1-3-8-20;/h4-6,9H,1-3,7-8,10H2,(H2,18,19);1H
InChIKeyWYYYYWBAWKRRIV-UHFFFAOYSA-N
XLogP3.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 53.62
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513003
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919533
N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048101
N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111822589
N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111093347
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111052786
N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]-2,5-dihydropyrrole-1-carboximidamide;dihydrochloride
CID 142722445
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111051112
N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513641
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
1-(cyclobutylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111026726
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111026746) is N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1cccc(C(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WYYYYWBAWKRRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3.HI/c15-14(16,17)12-6-4-5-11(9-12)10-19-13(18)20-7-2-1-3-8-20;/h4-6,9H,1-3,7-8,10H2,(H2,18,19);1H.
What are the key properties of N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 413.23 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111026746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).