2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

C12H22F3N3 — CID 103370727

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)(CC)CC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3/c1-3-11(2)4-6-18(7-5-11)8-9(10(16)17)12(13,14)15/h9H,3-8H2,1-2H3,(H3,16,17)
InChIKeyWFVVEABQHSQBAP-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.61
Rot. Bonds4

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370727) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370727
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)(CC)CC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3/c1-3-11(2)4-6-18(7-5-11)8-9(10(16)17)12(13,14)15/h9H,3-8H2,1-2H3,(H3,16,17)
InChIKeyWFVVEABQHSQBAP-UHFFFAOYSA-N
XLogP2.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.61
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 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (CID 103370727) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN1CCC(C)(CC)CC1)C(F)(F)F.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is WFVVEABQHSQBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-3-11(2)4-6-18(7-5-11)8-9(10(16)17)12(13,14)15/h9H,3-8H2,1-2H3,(H3,16,17).
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 265.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).