4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

C15H21ClF3N5 — CID 158782554

IUPAC4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCC1CCN(C(N)=N/C(N)=N/c2ccc(C(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C15H20F3N5.ClH/c1-10-6-8-23(9-7-10)14(20)22-13(19)21-12-4-2-11(3-5-12)15(16,17)18;/h2-5,10H,6-9H2,1H3,(H4,19,20,21,22);1H
InChIKeyDESWSNUDSKEPIV-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.12
Rot. Bonds1

About 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 158782554) has the molecular formula C15H21ClF3N5 and a molecular weight of 363.82 g/mol. Its IUPAC name is 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
PubChem CID158782554
Molecular FormulaC15H21ClF3N5
Molecular Weight363.82 g/mol
Exact Mass363.14
IUPAC Name4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCC1CCN(C(N)=N/C(N)=N/c2ccc(C(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C15H20F3N5.ClH/c1-10-6-8-23(9-7-10)14(20)22-13(19)21-12-4-2-11(3-5-12)15(16,17)18;/h2-5,10H,6-9H2,1H3,(H4,19,20,21,22);1H
InChIKeyDESWSNUDSKEPIV-UHFFFAOYSA-N
XLogP3.12
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (CID 158782554) is 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is CC1CCN(C(N)=N/C(N)=N/c2ccc(C(F)(F)F)cc2)CC1.Cl.
What is the InChIKey of 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is DESWSNUDSKEPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5.ClH/c1-10-6-8-23(9-7-10)14(20)22-13(19)21-12-4-2-11(3-5-12)15(16,17)18;/h2-5,10H,6-9H2,1H3,(H4,19,20,21,22);1H.
What are the key properties of 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 363.82 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 158782554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).