3-methoxypiperidin-1-ium-1-carboximidamide

C7H16N3O+ — CID 173337130

IUPAC3-methoxypiperidin-1-ium-1-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCCC(OC)C1
InChIInChI=1S/C7H15N3O/c1-11-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)/p+1
InChIKeyWSTRANFAVUUHHU-UHFFFAOYSA-O
MW158.22 g/mol
LogP-1.43
Rot. Bonds1

About 3-methoxypiperidin-1-ium-1-carboximidamide

3-methoxypiperidin-1-ium-1-carboximidamide (PubChem CID 173337130) has the molecular formula C7H16N3O+ and a molecular weight of 158.22 g/mol. Its IUPAC name is 3-methoxypiperidin-1-ium-1-carboximidamide.

Molecular Properties

Compound Name3-methoxypiperidin-1-ium-1-carboximidamide
PubChem CID173337130
Molecular FormulaC7H16N3O+
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Name3-methoxypiperidin-1-ium-1-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCCC(OC)C1
InChIInChI=1S/C7H15N3O/c1-11-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)/p+1
InChIKeyWSTRANFAVUUHHU-UHFFFAOYSA-O
XLogP-1.43
TPSA63.54 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
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-methoxypiperidin-1-ium-1-carboximidamide?
The IUPAC name of 3-methoxypiperidin-1-ium-1-carboximidamide (CID 173337130) is 3-methoxypiperidin-1-ium-1-carboximidamide.
What is the SMILES notation for 3-methoxypiperidin-1-ium-1-carboximidamide?
The canonical SMILES for 3-methoxypiperidin-1-ium-1-carboximidamide is [H]/N=C(\N)[NH+]1CCCC(OC)C1.
What is the InChIKey of 3-methoxypiperidin-1-ium-1-carboximidamide?
The InChIKey is WSTRANFAVUUHHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N3O/c1-11-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)/p+1.
What are the key properties of 3-methoxypiperidin-1-ium-1-carboximidamide?
3-methoxypiperidin-1-ium-1-carboximidamide has a molecular weight of 158.22 g/mol, XLogP of -1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypiperidin-1-ium-1-carboximidamide is sourced from PubChem (CID 173337130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).