4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide

C14H16F5N5O — CID 123271421

IUPAC4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(OC(F)(F)F)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H16F5N5O/c15-13(16)5-7-24(8-6-13)12(21)23-11(20)22-9-1-3-10(4-2-9)25-14(17,18)19/h1-4H,5-8H2,(H4,20,21,22,23)
InChIKeyWANQDAIUOOWGOP-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.58
Rot. Bonds2

About 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide

4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 123271421) has the molecular formula C14H16F5N5O and a molecular weight of 365.31 g/mol. Its IUPAC name is 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID123271421
Molecular FormulaC14H16F5N5O
Molecular Weight365.31 g/mol
Exact Mass365.13
IUPAC Name4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(OC(F)(F)F)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H16F5N5O/c15-13(16)5-7-24(8-6-13)12(21)23-11(20)22-9-1-3-10(4-2-9)25-14(17,18)19/h1-4H,5-8H2,(H4,20,21,22,23)
InChIKeyWANQDAIUOOWGOP-UHFFFAOYSA-N
XLogP2.58
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.58
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

N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78092899
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 141426679
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 171158004
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720633
4,4-difluoro-N'-[N'-[3-fluoro-4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 154018231
4,4-difluoro-N'-[N'-(4-propan-2-ylphenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 154494491
sodium;acetic acid;N'-cyano-4,4-difluoropiperidine-1-carboximidamide;dicyanoazanide;4,4-difluoropiperidine;bis(4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide);dihydrochloride
CID 161373963
4-methylsulfonyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 118057191
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 123730024
3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 123330653
sodium;acetic acid;N'-chloro-4,4-difluoropiperidine-1-carboximidamide;dicyanoazanide;4,4-difluoropiperidine;bis(4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide);4-(trifluoromethoxy)aniline;dihydrochloride
CID 159470332
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide (CID 123271421) is 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide is NC(=N/C(N)=N/c1ccc(OC(F)(F)F)cc1)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is WANQDAIUOOWGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5N5O/c15-13(16)5-7-24(8-6-13)12(21)23-11(20)22-9-1-3-10(4-2-9)25-14(17,18)19/h1-4H,5-8H2,(H4,20,21,22,23).
What are the key properties of 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 365.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 123271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).