3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide

C8H17N3O — CID 62378686

IUPAC3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCCC(CO)C1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-4-2-3-7(5-11)6-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBPLKNLJMBYSYIT-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.36
Rot. Bonds1

About 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide

3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 62378686) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID62378686
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCCC(CO)C1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-4-2-3-7(5-11)6-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBPLKNLJMBYSYIT-UHFFFAOYSA-N
XLogP-0.36
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide (CID 62378686) is 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide is C/N=C(\N)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is BPLKNLJMBYSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-8(9)11-4-2-3-7(5-11)6-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 62378686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).