N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide

C12H25N3O — CID 102963266

IUPACN'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C(C)(C)C)CCC1C
InChIInChI=1S/C12H25N3O/c1-9-6-7-15(8-10(9)16-5)11(13)14-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyZDBMQEQBVKIZLK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.46
Rot. Bonds1

About N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide

N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102963266) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102963266
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C(C)(C)C)CCC1C
InChIInChI=1S/C12H25N3O/c1-9-6-7-15(8-10(9)16-5)11(13)14-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyZDBMQEQBVKIZLK-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.46
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'-tert-butyl-4-methoxypiperidine-1-carboximidamide
CID 62362102
3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanethioamide
CID 102957856
(2S)-2-amino-1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 102957351
1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 102957368
(1-aminocyclopropyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957458
1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
3-chloro-1-(3-methoxy-4-methylpiperidin-1-yl)propan-1-one
CID 102956855
1-(3-methoxy-4-methylpiperidine-1-carbonyl)cyclohexane-1-carbothioamide
CID 102957842
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102962553
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957332

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102963266) is N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide is COC1CN(/C(N)=N/C(C)(C)C)CCC1C.
What is the InChIKey of N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is ZDBMQEQBVKIZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-6-7-15(8-10(9)16-5)11(13)14-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).