3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

C12H25N3O — CID 102963248

IUPAC3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/CC(C)C)CCC1C
InChIInChI=1S/C12H25N3O/c1-9(2)7-14-12(13)15-6-5-10(3)11(8-15)16-4/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyJYEGEUMNAMOLNM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.31
Rot. Bonds3

About 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 102963248) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID102963248
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/CC(C)C)CCC1C
InChIInChI=1S/C12H25N3O/c1-9(2)7-14-12(13)15-6-5-10(3)11(8-15)16-4/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyJYEGEUMNAMOLNM-UHFFFAOYSA-N
XLogP1.31
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1-fluorocyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 121767540
4-(Methoxymethyl)piperidine-1-carboximidamide
CID 20641649
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
1-(2-Methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 51131563
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
N'-cyclopentyl-3-propoxypiperidine-1-carboximidamide
CID 55063963
3-Propoxypiperidine-1-carboximidamide
CID 61573275
3-Ethoxypiperidine-1-carboximidamide
CID 61573303
N'-methyl-3-propoxypiperidine-1-carboximidamide
CID 62360806
3-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62360997
2,6-dimethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 62361027

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 102963248) is 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is COC1CN(/C(N)=N/CC(C)C)CCC1C.
What is the InChIKey of 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is JYEGEUMNAMOLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)7-14-12(13)15-6-5-10(3)11(8-15)16-4/h9-11H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 102963248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).