N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide

C9H16F3N3O — CID 77047242

IUPACN'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)3-6-15-4-1-7(2-5-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyUEEYSXRSCJQPBV-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.40
Rot. Bonds3

About N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide

N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide (PubChem CID 77047242) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide
PubChem CID77047242
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC NameN'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)3-6-15-4-1-7(2-5-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyUEEYSXRSCJQPBV-UHFFFAOYSA-N
XLogP1.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.40
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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Related Compounds

N-hydroxy-1-methylpiperidine-4-carboximidamide
CID 57751896
N'-hydroxy-4-(4-methylpiperidin-1-yl)butanimidamide
CID 24697862
4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide
CID 155397803
(Z)-N'-hydroxy-2-[3-(trifluoromethyl)piperidin-1-yl]ethanimidamide
CID 60670303
1-(2,2,2-Trifluoroethyl)piperidine-4-carboximidamide
CID 64426299
1-(2,2-Difluoroethyl)piperidine-4-carboximidamide
CID 64427095
1-(3,3,3-Trifluoropropyl)piperidine-4-carboximidamide
CID 64566498
5-[3-(Trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65536457
4-[3-(Trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65536843
N'-hydroxy-4-[3-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65536894
2-Methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65537038
N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537091

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide (CID 77047242) is N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide is NC(=NO)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide?
The InChIKey is UEEYSXRSCJQPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)3-6-15-4-1-7(2-5-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide has a molecular weight of 239.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3,3,3-trifluoropropyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77047242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).