N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride

C14H20Cl2F3N5O — CID 142720633

IUPACN'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N/C(N)=N/c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H18F3N5O.2ClH/c15-14(16,17)23-11-6-4-10(5-7-11)20-12(18)21-13(19)22-8-2-1-3-9-22;;/h4-7H,1-3,8-9H2,(H4,18,19,20,21);2*1H
InChIKeyXPCNFERJLRXRKC-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.18
Rot. Bonds2

About N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride

N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride (PubChem CID 142720633) has the molecular formula C14H20Cl2F3N5O and a molecular weight of 402.25 g/mol. Its IUPAC name is N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
PubChem CID142720633
Molecular FormulaC14H20Cl2F3N5O
Molecular Weight402.25 g/mol
Exact Mass401.10
IUPAC NameN'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N/C(N)=N/c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H18F3N5O.2ClH/c15-14(16,17)23-11-6-4-10(5-7-11)20-12(18)21-13(19)22-8-2-1-3-9-22;;/h4-7H,1-3,8-9H2,(H4,18,19,20,21);2*1H
InChIKeyXPCNFERJLRXRKC-UHFFFAOYSA-N
XLogP3.18
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.18
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;hydrochloride
CID 171158004
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78092899
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 141426679
4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 123271421
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 156631545
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470
3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 123330653
N'-[N'-[3-chloro-5-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172764388
N'-[N'-[4-fluoro-3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 90246374
N'-[N'-[4-chloro-3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720639
N'-[N'-[4-chloro-3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 78093074
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride?
The IUPAC name of N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride (CID 142720633) is N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N/C(N)=N/c1ccc(OC(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride?
The InChIKey is XPCNFERJLRXRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O.2ClH/c15-14(16,17)23-11-6-4-10(5-7-11)20-12(18)21-13(19)22-8-2-1-3-9-22;;/h4-7H,1-3,8-9H2,(H4,18,19,20,21);2*1H.
What are the key properties of N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride?
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride has a molecular weight of 402.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 142720633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).