N'-tert-butyl-4-methoxypiperidine-1-carboximidamide

C11H23N3O — CID 62362102

IUPACN'-tert-butyl-4-methoxypiperidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-10(12)14-7-5-9(15-4)6-8-14/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyMDJVAMXSOOTWDU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds1

About N'-tert-butyl-4-methoxypiperidine-1-carboximidamide

N'-tert-butyl-4-methoxypiperidine-1-carboximidamide (PubChem CID 62362102) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-tert-butyl-4-methoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-4-methoxypiperidine-1-carboximidamide
PubChem CID62362102
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-tert-butyl-4-methoxypiperidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-10(12)14-7-5-9(15-4)6-8-14/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyMDJVAMXSOOTWDU-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-methoxypiperidine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-4-methoxypiperidine-1-carboximidamide (CID 62362102) is N'-tert-butyl-4-methoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-4-methoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-4-methoxypiperidine-1-carboximidamide is COC1CCN(/C(N)=N/C(C)(C)C)CC1.
What is the InChIKey of N'-tert-butyl-4-methoxypiperidine-1-carboximidamide?
The InChIKey is MDJVAMXSOOTWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)13-10(12)14-7-5-9(15-4)6-8-14/h9H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-tert-butyl-4-methoxypiperidine-1-carboximidamide?
N'-tert-butyl-4-methoxypiperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-methoxypiperidine-1-carboximidamide is sourced from PubChem (CID 62362102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).