N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide

C11H20F3N3O2 — CID 77039069

IUPACN'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)8-19-7-1-4-17-5-2-9(3-6-17)10(15)16-18/h9,18H,1-8H2,(H2,15,16)
InChIKeyGKZKHFREYXDJBP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.41
Rot. Bonds6

About N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide

N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide (PubChem CID 77039069) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
PubChem CID77039069
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC NameN'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)8-19-7-1-4-17-5-2-9(3-6-17)10(15)16-18/h9,18H,1-8H2,(H2,15,16)
InChIKeyGKZKHFREYXDJBP-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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'}

Analyze N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 64428084
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 64428085
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidine-3-carboximidamide
CID 64443871
N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537091
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 77039063
N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-2-carboximidamide
CID 77041280
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboximidamide
CID 77041682
N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboximidamide
CID 77041740
N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide
CID 77047242
N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 77073292
N'-hydroxy-5-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073302
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-3-carboximidamide
CID 77100320

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide (CID 77039069) is N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide is NC(=NO)C1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide?
The InChIKey is GKZKHFREYXDJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)8-19-7-1-4-17-5-2-9(3-6-17)10(15)16-18/h9,18H,1-8H2,(H2,15,16).
What are the key properties of N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide?
N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide has a molecular weight of 283.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide is sourced from PubChem (CID 77039069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).