2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide

C10H18F3N3O — CID 112737696

IUPAC2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-2-7(8(14)15)16-5-3-9(17,4-6-16)10(11,12)13/h7,17H,2-6H2,1H3,(H3,14,15)
InChIKeyJLONVTQOFSFZBN-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.09
Rot. Bonds3

About 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide

2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide (PubChem CID 112737696) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide
PubChem CID112737696
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-2-7(8(14)15)16-5-3-9(17,4-6-16)10(11,12)13/h7,17H,2-6H2,1H3,(H3,14,15)
InChIKeyJLONVTQOFSFZBN-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide (CID 112737696) is 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide is [H]/N=C(\N)C(CC)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The InChIKey is JLONVTQOFSFZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-7(8(14)15)16-5-3-9(17,4-6-16)10(11,12)13/h7,17H,2-6H2,1H3,(H3,14,15).
What are the key properties of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 112737696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).