4-methoxypiperidine-1-carboximidamide;hydrobromide

C7H16BrN3O — CID 71758599

IUPAC4-methoxypiperidine-1-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N)N1CCC(OC)CC1
InChIInChI=1S/C7H15N3O.BrH/c1-11-6-2-4-10(5-3-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H
InChIKeyRSISBACUDUTZMD-UHFFFAOYSA-N
MW238.13 g/mol
LogP0.57
Rot. Bonds1

About 4-methoxypiperidine-1-carboximidamide;hydrobromide

4-methoxypiperidine-1-carboximidamide;hydrobromide (PubChem CID 71758599) has the molecular formula C7H16BrN3O and a molecular weight of 238.13 g/mol. Its IUPAC name is 4-methoxypiperidine-1-carboximidamide;hydrobromide.

Molecular Properties

Compound Name4-methoxypiperidine-1-carboximidamide;hydrobromide
PubChem CID71758599
Molecular FormulaC7H16BrN3O
Molecular Weight238.13 g/mol
Exact Mass237.05
IUPAC Name4-methoxypiperidine-1-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N)N1CCC(OC)CC1
InChIInChI=1S/C7H15N3O.BrH/c1-11-6-2-4-10(5-3-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H
InChIKeyRSISBACUDUTZMD-UHFFFAOYSA-N
XLogP0.57
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 50.57
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 4-methoxypiperidine-1-carboximidamide;hydrobromide?
The IUPAC name of 4-methoxypiperidine-1-carboximidamide;hydrobromide (CID 71758599) is 4-methoxypiperidine-1-carboximidamide;hydrobromide.
What is the SMILES notation for 4-methoxypiperidine-1-carboximidamide;hydrobromide?
The canonical SMILES for 4-methoxypiperidine-1-carboximidamide;hydrobromide is Br.[H]/N=C(\N)N1CCC(OC)CC1.
What is the InChIKey of 4-methoxypiperidine-1-carboximidamide;hydrobromide?
The InChIKey is RSISBACUDUTZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.BrH/c1-11-6-2-4-10(5-3-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H.
What are the key properties of 4-methoxypiperidine-1-carboximidamide;hydrobromide?
4-methoxypiperidine-1-carboximidamide;hydrobromide has a molecular weight of 238.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypiperidine-1-carboximidamide;hydrobromide is sourced from PubChem (CID 71758599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).