2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C12H23F3N4O — CID 103369356

IUPAC2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN1CCC(N(C)CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-3-19-6-4-9(5-7-19)18(2)8-10(11(16)17-20)12(13,14)15/h9-10,20H,3-8H2,1-2H3,(H2,16,17)
InChIKeyCDXABQWLUBSDRE-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.33
Rot. Bonds5

About 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369356) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369356
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN1CCC(N(C)CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-3-19-6-4-9(5-7-19)18(2)8-10(11(16)17-20)12(13,14)15/h9-10,20H,3-8H2,1-2H3,(H2,16,17)
InChIKeyCDXABQWLUBSDRE-UHFFFAOYSA-N
XLogP1.33
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.33
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'}

Analyze 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide 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

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-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-[3-(Trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65536266
N'-hydroxy-4-[3-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65536894
N'-hydroxy-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537091
3-[4-(Trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537230
3-[4-(Trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65537620
N'-hydroxy-2-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65538059

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369356) is 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN1CCC(N(C)CC(C(N)=NO)C(F)(F)F)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is CDXABQWLUBSDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-3-19-6-4-9(5-7-19)18(2)8-10(11(16)17-20)12(13,14)15/h9-10,20H,3-8H2,1-2H3,(H2,16,17).
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 296.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).