3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C12H25N3O — CID 76986711

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1(C)CCN(CC(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-4-12(3)5-7-15(8-6-12)9-10(2)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBKEUUALYVPDWLX-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.88
Rot. Bonds4

About 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76986711) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID76986711
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1(C)CCN(CC(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-4-12(3)5-7-15(8-6-12)9-10(2)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBKEUUALYVPDWLX-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.88
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-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872959
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid
CID 64582932
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43584570
N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide
CID 104937389
N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
CID 107161764
1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
CID 63619222
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171
2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide
CID 63160702
N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986941

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 76986711) is 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CCC1(C)CCN(CC(C)C(N)=NO)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is BKEUUALYVPDWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(3)5-7-15(8-6-12)9-10(2)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76986711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).