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

C11H20F3N3O — CID 107162086

IUPAC4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-10(9(15)16)2-4-17(5-3-10)6-7-18-8-11(12,13)14/h2-8H2,1H3,(H3,15,16)
InChIKeyORTWVQWSJKCQRO-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.60
Rot. Bonds5

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

4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide (PubChem CID 107162086) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
PubChem CID107162086
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-10(9(15)16)2-4-17(5-3-10)6-7-18-8-11(12,13)14/h2-8H2,1H3,(H3,15,16)
InChIKeyORTWVQWSJKCQRO-UHFFFAOYSA-N
XLogP1.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide (CID 107162086) is 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
The InChIKey is ORTWVQWSJKCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-10(9(15)16)2-4-17(5-3-10)6-7-18-8-11(12,13)14/h2-8H2,1H3,(H3,15,16).
What are the key properties of 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide has a molecular weight of 267.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107162086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).