3-methoxy-N',4-dimethylpiperidine-1-carboximidamide

C9H19N3O — CID 102963257

IUPAC3-methoxy-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(C)C(OC)C1
InChIInChI=1S/C9H19N3O/c1-7-4-5-12(9(10)11-2)6-8(7)13-3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyDOTXGJFALNAHTE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.29
Rot. Bonds1

About 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide

3-methoxy-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 102963257) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID102963257
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-methoxy-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(C)C(OC)C1
InChIInChI=1S/C9H19N3O/c1-7-4-5-12(9(10)11-2)6-8(7)13-3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyDOTXGJFALNAHTE-UHFFFAOYSA-N
XLogP0.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.29
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-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide (CID 102963257) is 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide is C/N=C(\N)N1CCC(C)C(OC)C1.
What is the InChIKey of 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is DOTXGJFALNAHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-4-5-12(9(10)11-2)6-8(7)13-3/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide?
3-methoxy-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).