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

C10H16F3N3O3 — CID 103211622

IUPACN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-3-1-7(2-4-16)9(14)15-18/h7,18H,1-6H2,(H2,14,15)
InChIKeyNCWDQNDNDMJQRA-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.55
Rot. Bonds4

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

N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide (PubChem CID 103211622) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide
PubChem CID103211622
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC NameN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-3-1-7(2-4-16)9(14)15-18/h7,18H,1-6H2,(H2,14,15)
InChIKeyNCWDQNDNDMJQRA-UHFFFAOYSA-N
XLogP0.55
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 77039063
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
CID 77100321
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211509
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211532
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211537
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211549
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide
CID 103211614
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboximidamide
CID 103211618
1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide
CID 103211621
N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboximidamide
CID 103211623
N'-hydroxy-4-methylsulfanyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide
CID 103211645
N'-hydroxy-4-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide
CID 107162424

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide (CID 103211622) is N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide is NC(=NO)C1CCN(C(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide?
The InChIKey is NCWDQNDNDMJQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-3-1-7(2-4-16)9(14)15-18/h7,18H,1-6H2,(H2,14,15).
What are the key properties of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide?
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide has a molecular weight of 283.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboximidamide is sourced from PubChem (CID 103211622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).