4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide

C9H19N3O — CID 63977675

IUPAC4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(COC)CC1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12-5-3-8(4-6-12)7-13-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyBWKSSMIOTSMQMS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.29
Rot. Bonds2

About 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide

4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 63977675) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID63977675
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(COC)CC1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12-5-3-8(4-6-12)7-13-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyBWKSSMIOTSMQMS-UHFFFAOYSA-N
XLogP0.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.29
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 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide (CID 63977675) is 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide is C/N=C(\N)N1CCC(COC)CC1.
What is the InChIKey of 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is BWKSSMIOTSMQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(10)12-5-3-8(4-6-12)7-13-2/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 63977675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).