N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide

C10H18F3N3O — CID 77073365

IUPACN'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-7(6-9(14)15-17)16-4-2-8(3-5-16)10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15)
InChIKeyIDSJRLSYHVYXCS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds3

About N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide

N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide (PubChem CID 77073365) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
PubChem CID77073365
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC NameN'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-7(6-9(14)15-17)16-4-2-8(3-5-16)10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15)
InChIKeyIDSJRLSYHVYXCS-UHFFFAOYSA-N
XLogP1.79
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide (CID 77073365) is N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide is CC(CC(N)=NO)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The InChIKey is IDSJRLSYHVYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-7(6-9(14)15-17)16-4-2-8(3-5-16)10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 77073365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).