3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide

C11H20F3N3O — CID 103370848

IUPAC3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)C(OC)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-7-3-4-17(6-9(7)18-2)5-8(10(15)16)11(12,13)14/h7-9H,3-6H2,1-2H3,(H3,15,16)
InChIKeyOJNQLZPCKUEUPV-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.46
Rot. Bonds4

About 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide

3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide (PubChem CID 103370848) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
PubChem CID103370848
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)C(OC)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-7-3-4-17(6-9(7)18-2)5-8(10(15)16)11(12,13)14/h7-9H,3-6H2,1-2H3,(H3,15,16)
InChIKeyOJNQLZPCKUEUPV-UHFFFAOYSA-N
XLogP1.46
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 64428084
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-3-carboximidamide
CID 64444265
1-[2-(Trifluoromethoxy)ethyl]piperidine-3-carboximidamide
CID 65804095
1-[2-(Trifluoromethoxy)ethyl]piperidine-4-carboximidamide
CID 65804309
3,3,3-Trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine
CID 103366493
3,3,3-trifluoro-N'-hydroxy-2-[(3-propoxypiperidin-1-yl)methyl]propanimidamide
CID 103369337
2-[(3-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369338
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370258
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
CID 103370259
2-[(2,6-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370528
3,3,3-Trifluoro-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370531
2-[(4-Ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370605

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide (CID 103370848) is 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide is [H]/N=C(\N)C(CN1CCC(C)C(OC)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
The InChIKey is OJNQLZPCKUEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-7-3-4-17(6-9(7)18-2)5-8(10(15)16)11(12,13)14/h7-9H,3-6H2,1-2H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide has a molecular weight of 267.29 g/mol, XLogP of 1.46, 4 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-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103370848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).