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

C10H18F3N3O — CID 103370847

IUPAC3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)C(O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-6-2-3-16(5-8(6)17)4-7(9(14)15)10(11,12)13/h6-8,17H,2-5H2,1H3,(H3,14,15)
InChIKeyXRYFFRTUDZEEEW-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.80
Rot. Bonds3

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

3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide (PubChem CID 103370847) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
PubChem CID103370847
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)C(O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-6-2-3-16(5-8(6)17)4-7(9(14)15)10(11,12)13/h6-8,17H,2-5H2,1H3,(H3,14,15)
InChIKeyXRYFFRTUDZEEEW-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
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-(Aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol
CID 103366492
3,3,3-trifluoro-N'-hydroxy-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369309
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370258
3,3,3-Trifluoro-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370550
3,3,3-Trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103370562
3,3,3-Trifluoro-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370633
3,3,3-Trifluoro-2-[(3-propoxypiperidin-1-yl)methyl]propanimidamide
CID 103370657
2-[(3-Ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370658
3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370832
3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370841
3,3,3-Trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370848

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide (CID 103370847) is 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide is [H]/N=C(\N)C(CN1CCC(C)C(O)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
The InChIKey is XRYFFRTUDZEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-6-2-3-16(5-8(6)17)4-7(9(14)15)10(11,12)13/h6-8,17H,2-5H2,1H3,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide has a molecular weight of 253.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103370847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).