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

C11H20F3N3O — CID 103369264

IUPAC2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC1CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-2-8-4-3-5-17(6-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyOHNBXNNOEXZATG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.03
Rot. Bonds4

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

2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369264) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369264
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC1CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-2-8-4-3-5-17(6-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyOHNBXNNOEXZATG-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.03
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-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-(3,3,3-Trifluoropropyl)piperidine-3-carboximidamide
CID 64566497
3-[3-(Trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65536264
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
3-[4-(Trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65537422
(Z)-N'-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]ethanimidamide
CID 65538058
N'-hydroxy-2-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65538059
N'-hydroxy-3-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65538245

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369264) is 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCC1CCCN(CC(C(N)=NO)C(F)(F)F)C1.
What is the InChIKey of 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is OHNBXNNOEXZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-2-8-4-3-5-17(6-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16).
What are the key properties of 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 267.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).