4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride

C14H18ClF4N5O — CID 140856312

IUPAC4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(F)CC1/C(N)=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F4N5O.ClH/c15-8-5-6-23(13(20)21)11(7-8)12(19)22-9-1-3-10(4-2-9)24-14(16,17)18;/h1-4,8,11H,5-7H2,(H2,19,22)(H3,20,21);1H
InChIKeyDFHGGBRFYVFFLA-UHFFFAOYSA-N
MW383.78 g/mol
LogP2.69
Rot. Bonds3

About 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride

4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride (PubChem CID 140856312) has the molecular formula C14H18ClF4N5O and a molecular weight of 383.78 g/mol. Its IUPAC name is 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride
PubChem CID140856312
Molecular FormulaC14H18ClF4N5O
Molecular Weight383.78 g/mol
Exact Mass383.11
IUPAC Name4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(F)CC1/C(N)=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F4N5O.ClH/c15-8-5-6-23(13(20)21)11(7-8)12(19)22-9-1-3-10(4-2-9)24-14(16,17)18;/h1-4,8,11H,5-7H2,(H2,19,22)(H3,20,21);1H
InChIKeyDFHGGBRFYVFFLA-UHFFFAOYSA-N
XLogP2.69
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-2-N'-[4-(trifluoromethoxy)phenyl]pyrrolidine-1,2-dicarboximidamide
CID 140856287
4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide
CID 140856327
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720633
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 141426679
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 171158004
3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 123330653
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78092899
2-N'-[4-(3-oxo-3-piperidin-1-ylpropyl)phenyl]pyrrolidine-1,2-dicarboximidamide
CID 140673420
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 123730024
4-methylsulfonyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 118057191
4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 123271421
N-[4-(trifluoromethoxy)phenyl]methanimine
CID 118183095

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride?
The IUPAC name of 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride (CID 140856312) is 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride.
What is the SMILES notation for 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride?
The canonical SMILES for 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCC(F)CC1/C(N)=N/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride?
The InChIKey is DFHGGBRFYVFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N5O.ClH/c15-8-5-6-23(13(20)21)11(7-8)12(19)22-9-1-3-10(4-2-9)24-14(16,17)18;/h1-4,8,11H,5-7H2,(H2,19,22)(H3,20,21);1H.
What are the key properties of 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride?
4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride has a molecular weight of 383.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride is sourced from PubChem (CID 140856312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).