4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide

C10H18F3N3O — CID 107162138

IUPAC4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-9(8(14)15)2-4-16(5-3-9)6-7-17-10(11,12)13/h2-7H2,1H3,(H3,14,15)
InChIKeySCIWBWZOVTWIET-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.56
Rot. Bonds4

About 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide

4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide (PubChem CID 107162138) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
PubChem CID107162138
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-9(8(14)15)2-4-16(5-3-9)6-7-17-10(11,12)13/h2-7H2,1H3,(H3,14,15)
InChIKeySCIWBWZOVTWIET-UHFFFAOYSA-N
XLogP1.56
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide (CID 107162138) is 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
The InChIKey is SCIWBWZOVTWIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(8(14)15)2-4-16(5-3-9)6-7-17-10(11,12)13/h2-7H2,1H3,(H3,14,15).
What are the key properties of 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide has a molecular weight of 253.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107162138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).