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

C10H18F3N3O — CID 77073292

IUPACN'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
SMILESNC(CCCN1CCC(C(F)(F)F)CC1)=NO
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8-3-6-16(7-4-8)5-1-2-9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyDUTXDGDKLFWKPS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds4

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

N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide (PubChem CID 77073292) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
PubChem CID77073292
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC NameN'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
SMILESNC(CCCN1CCC(C(F)(F)F)CC1)=NO
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8-3-6-16(7-4-8)5-1-2-9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyDUTXDGDKLFWKPS-UHFFFAOYSA-N
XLogP1.79
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide (CID 77073292) is N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide is NC(CCCN1CCC(C(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
The InChIKey is DUTXDGDKLFWKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)8-3-6-16(7-4-8)5-1-2-9(14)15-17/h8,17H,1-7H2,(H2,14,15).
What are the key properties of N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide?
N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 77073292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).