3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide

C11H23N3O — CID 102963262

IUPAC3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C(C)C)CCC1C
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(12)14-6-5-9(3)10(7-14)15-4/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyPDTWXORVGKVYOT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.07
Rot. Bonds2

About 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide

3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 102963262) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide
PubChem CID102963262
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C(C)C)CCC1C
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(12)14-6-5-9(3)10(7-14)15-4/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyPDTWXORVGKVYOT-UHFFFAOYSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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
N'-methyl-3-propoxypiperidine-1-carboximidamide
CID 62360806
3-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62360997
N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide
CID 62361648
N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide
CID 62361903
N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide
CID 62362081
5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 62362119
N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide
CID 62362282

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide (CID 102963262) is 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide is COC1CN(/C(N)=N/C(C)C)CCC1C.
What is the InChIKey of 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is PDTWXORVGKVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)13-11(12)14-6-5-9(3)10(7-14)15-4/h8-10H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide?
3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.07, 2 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'-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).