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

C15H20F3N5O — CID 123330653

IUPAC3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESCC1CCCN(C(N)=N/C(N)=N/c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3N5O/c1-10-3-2-8-23(9-10)14(20)22-13(19)21-11-4-6-12(7-5-11)24-15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H4,19,20,21,22)
InChIKeyKKDIKHPWJZHCGU-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.58
Rot. Bonds2

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

3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 123330653) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID123330653
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESCC1CCCN(C(N)=N/C(N)=N/c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3N5O/c1-10-3-2-8-23(9-10)14(20)22-13(19)21-11-4-6-12(7-5-11)24-15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H4,19,20,21,22)
InChIKeyKKDIKHPWJZHCGU-UHFFFAOYSA-N
XLogP2.58
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
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'}

Analyze 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide 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

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
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 78321574
3-methyl-N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142722397
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride
CID 142722417
4-methylsulfonyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 118057191
N'-[N'-[3-fluoro-4-(trifluoromethyl)phenyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 142722401
N'-[N'-[3-fluoro-4-(trifluoromethyl)phenyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 78321874
N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 123850399
4,4-difluoro-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 123271421

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide (CID 123330653) is 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide is CC1CCCN(C(N)=N/C(N)=N/c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is KKDIKHPWJZHCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-10-3-2-8-23(9-10)14(20)22-13(19)21-11-4-6-12(7-5-11)24-15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H4,19,20,21,22).
What are the key properties of 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 343.35 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 3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 123330653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).