3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide

C10H18F3N3O — CID 103370562

IUPAC3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)15)5-16-3-1-7(6-17)2-4-16/h7-8,17H,1-6H2,(H3,14,15)
InChIKeyRUZUOFBVAKGYHA-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.81
Rot. Bonds4

About 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide

3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide (PubChem CID 103370562) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
PubChem CID103370562
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)15)5-16-3-1-7(6-17)2-4-16/h7-8,17H,1-6H2,(H3,14,15)
InChIKeyRUZUOFBVAKGYHA-UHFFFAOYSA-N
XLogP0.81
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.81
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

3,3,3-trifluoro-N'-hydroxy-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-trifluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369444
3,3,3-Trifluoro-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370550
3,3,3-Trifluoro-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370633
3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836093
3,3,3-Trifluoro-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836177
3,3,3-trifluoro-N'-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227566
3,3,3-Trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227653
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808087
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
3,3,3-Trifluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808159

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide (CID 103370562) is 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide is [H]/N=C(\N)C(CN1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is RUZUOFBVAKGYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)15)5-16-3-1-7(6-17)2-4-16/h7-8,17H,1-6H2,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 253.27 g/mol, XLogP of 0.81, 4 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-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 103370562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).