N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

C11H21F3N4O — CID 76979185

IUPACN'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-2-9(7-10(15)16-19)18-5-3-17(4-6-18)8-11(12,13)14/h9,19H,2-8H2,1H3,(H2,15,16)
InChIKeyBQKMAWZKACYVRJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.08
Rot. Bonds5

About N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (PubChem CID 76979185) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
PubChem CID76979185
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC NameN'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-2-9(7-10(15)16-19)18-5-3-17(4-6-18)8-11(12,13)14/h9,19H,2-8H2,1H3,(H2,15,16)
InChIKeyBQKMAWZKACYVRJ-UHFFFAOYSA-N
XLogP1.08
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.08
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

CID 146385627
CID 146385627
Piperidinopropioamidoxime
CID 76175176
Piperidinopropionamidoxime hydro chloride
CID 129771910
e-Piperidinopropioamidoxime
CID 129771937
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011238
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011240
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011288
N'-hydroxy-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011289
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139613
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139614
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 60890993
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 62967183

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (CID 76979185) is N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is CCC(CC(N)=NO)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is BQKMAWZKACYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-2-9(7-10(15)16-19)18-5-3-17(4-6-18)8-11(12,13)14/h9,19H,2-8H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 282.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 76979185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).