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

C11H23N3O — CID 102963273

IUPAC3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOC1CCCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C11H23N3O/c1-9(2)7-13-11(12)14-6-4-5-10(8-14)15-3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHGSDROUVHQLUCY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.07
Rot. Bonds3

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

3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 102963273) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID102963273
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOC1CCCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C11H23N3O/c1-9(2)7-13-11(12)14-6-4-5-10(8-14)15-3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHGSDROUVHQLUCY-UHFFFAOYSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.07
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
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
N',2,2,6-tetramethylmorpholine-4-carboximidamide
CID 62358789
2-ethyl-N'-methylmorpholine-4-carboximidamide
CID 62360606

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 102963273) is 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide is COC1CCCN(/C(N)=N/CC(C)C)C1.
What is the InChIKey of 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is HGSDROUVHQLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)7-13-11(12)14-6-4-5-10(8-14)15-3/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 102963273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).