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

C11H20F3N3O — CID 77073341

IUPACN'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-2-9(7-10(15)16-18)17-5-3-8(4-6-17)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyQXFQDZFWAQBZDL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.18
Rot. Bonds4

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

N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide (PubChem CID 77073341) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
PubChem CID77073341
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-2-9(7-10(15)16-18)17-5-3-8(4-6-17)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyQXFQDZFWAQBZDL-UHFFFAOYSA-N
XLogP2.18
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.18
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]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide (CID 77073341) is N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide is CCC(CC(N)=NO)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is QXFQDZFWAQBZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-2-9(7-10(15)16-18)17-5-3-8(4-6-17)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide?
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide has a molecular weight of 267.29 g/mol, XLogP of 2.18, 4 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]pentanimidamide is sourced from PubChem (CID 77073341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).