3-methoxy-N'-methylpiperidine-1-carboximidamide

C8H17N3O — CID 102963282

IUPAC3-methoxy-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCCC(OC)C1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-5-3-4-7(6-11)12-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyKIIBLPZRJLPXSZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds1

About 3-methoxy-N'-methylpiperidine-1-carboximidamide

3-methoxy-N'-methylpiperidine-1-carboximidamide (PubChem CID 102963282) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methoxy-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-methylpiperidine-1-carboximidamide
PubChem CID102963282
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-methoxy-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCCC(OC)C1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-5-3-4-7(6-11)12-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyKIIBLPZRJLPXSZ-UHFFFAOYSA-N
XLogP0.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
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

3-Methoxypiperidine-1-carboximidamide
CID 19089238
N',2,6-trimethylmorpholine-4-carboximidamide
CID 62358592
4-methoxy-N'-methylpiperidine-1-carboximidamide
CID 62360256
3-Methoxypiperidin-1-ium-1-carboximidamide
CID 173337130
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
N'-cyclopentyl-3-propoxypiperidine-1-carboximidamide
CID 55063963
N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide
CID 55064006
3-Propoxypiperidine-1-carboximidamide
CID 61573275
3-Ethoxypiperidine-1-carboximidamide
CID 61573303
4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62358596

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-methylpiperidine-1-carboximidamide (CID 102963282) is 3-methoxy-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-methylpiperidine-1-carboximidamide is C/N=C(\N)N1CCCC(OC)C1.
What is the InChIKey of 3-methoxy-N'-methylpiperidine-1-carboximidamide?
The InChIKey is KIIBLPZRJLPXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-8(9)11-5-3-4-7(6-11)12-2/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 3-methoxy-N'-methylpiperidine-1-carboximidamide?
3-methoxy-N'-methylpiperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).