N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide

C11H20F3N3O2 — CID 107161808

IUPACN'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-10(9(15)16-18)2-4-17(5-3-10)6-7-19-8-11(12,13)14/h18H,2-8H2,1H3,(H2,15,16)
InChIKeyVZGNSVJDPJQOOC-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.41
Rot. Bonds5

About N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide (PubChem CID 107161808) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
PubChem CID107161808
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC NameN'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-10(9(15)16-18)2-4-17(5-3-10)6-7-19-8-11(12,13)14/h18H,2-8H2,1H3,(H2,15,16)
InChIKeyVZGNSVJDPJQOOC-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 77039063
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboximidamide
CID 77041682
N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77063521
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
CID 77100321
N'-hydroxy-4-methylsulfanyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 77108587
N'-hydroxy-4-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 107161813
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 107162086
4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 107162095
4-Methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
CID 107162138
N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide
CID 107162424
N'-hydroxy-4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
CID 113925258
5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114127895

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide (CID 107161808) is N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide is CC1(C(N)=NO)CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
The InChIKey is VZGNSVJDPJQOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-10(9(15)16-18)2-4-17(5-3-10)6-7-19-8-11(12,13)14/h18H,2-8H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide has a molecular weight of 283.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107161808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).