N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide

C10H21N3O — CID 63977864

IUPACN'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(COC)CC1
InChIInChI=1S/C10H21N3O/c1-3-12-10(11)13-6-4-9(5-7-13)8-14-2/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyZUVLABVIMFUQHA-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.68
Rot. Bonds3

About N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide

N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide (PubChem CID 63977864) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide
PubChem CID63977864
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(COC)CC1
InChIInChI=1S/C10H21N3O/c1-3-12-10(11)13-6-4-9(5-7-13)8-14-2/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyZUVLABVIMFUQHA-UHFFFAOYSA-N
XLogP0.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.68
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'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide (CID 63977864) is N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide is CC/N=C(\N)N1CCC(COC)CC1.
What is the InChIKey of N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide?
The InChIKey is ZUVLABVIMFUQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-12-10(11)13-6-4-9(5-7-13)8-14-2/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide?
N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(methoxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 63977864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).