3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide

C11H20F3N3O — CID 106587141

IUPAC3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC(COC)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-18-7-8-3-2-4-17(5-8)6-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16)
InChIKeyAIFLLLJNFXJDGP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.46
Rot. Bonds5

About 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide

3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide (PubChem CID 106587141) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
PubChem CID106587141
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC(COC)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-18-7-8-3-2-4-17(5-8)6-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16)
InChIKeyAIFLLLJNFXJDGP-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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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Related Compounds

(5,5-Difluoro-1-methylpiperidin-3-yl)methyl carbamimidate
CID 166929280
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 64428085
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidine-3-carboximidamide
CID 64443871
1-[2-(Trifluoromethoxy)ethyl]piperidine-3-carboximidamide
CID 65804095
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]propanimidamide
CID 103369437
2-[(4-Ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370605
3,3,3-Trifluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]propanimidamide
CID 103370747
3,3,3-Trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine
CID 106586140
3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 106587065
3,3,3-Trifluoro-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113808118
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
3,3,3-Trifluoro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]propanimidamide
CID 113808158

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide (CID 106587141) is 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide is [H]/N=C(\N)C(CN1CCCC(COC)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is AIFLLLJNFXJDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-18-7-8-3-2-4-17(5-8)6-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 267.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 106587141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).