2-(4-methoxypiperidin-1-yl)ethanimidamide

C8H17N3O — CID 43372997

IUPAC2-(4-methoxypiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(OC)CC1
InChIInChI=1S/C8H17N3O/c1-12-7-2-4-11(5-3-7)6-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyINOVABNZAUCISD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.03
Rot. Bonds3

About 2-(4-methoxypiperidin-1-yl)ethanimidamide

2-(4-methoxypiperidin-1-yl)ethanimidamide (PubChem CID 43372997) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)ethanimidamide
PubChem CID43372997
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(4-methoxypiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(OC)CC1
InChIInChI=1S/C8H17N3O/c1-12-7-2-4-11(5-3-7)6-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyINOVABNZAUCISD-UHFFFAOYSA-N
XLogP0.03
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxypiperidin-1-yl)ethanimine
CID 18727529
1-[4-[(2-Methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine
CID 20765497
1-[4-(Propan-2-yloxy)piperidin-1-yl]ethan-1-imine
CID 117882710
Methane;1-(4-methoxypiperidin-1-yl)ethanimine
CID 159843772
Hexane;1-methanimidoyl-4-methoxypiperidin-2-imine
CID 168894284
4-(4-Ethoxy-2-iminopiperidin-1-yl)butan-1-amine
CID 174831682
2-(4-Ethoxy-2-iminopiperidin-1-yl)ethanamine
CID 175380973
N'-hydroxy-2-(4-methoxypiperidin-1-yl)ethanimidamide
CID 43216564
N'-hydroxy-4-(4-methoxypiperidin-1-yl)butanimidamide
CID 43372968
3-(4-Methoxypiperidin-1-yl)pentanimidamide
CID 43372991
3-(4-Methoxypiperidin-1-yl)-2-methylpropanimidamide
CID 43372992
4-(4-Methoxypiperidin-1-yl)butanimidamide
CID 43372995

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)ethanimidamide?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)ethanimidamide (CID 43372997) is 2-(4-methoxypiperidin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)ethanimidamide?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CCC(OC)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)ethanimidamide?
The InChIKey is INOVABNZAUCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-12-7-2-4-11(5-3-7)6-8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 2-(4-methoxypiperidin-1-yl)ethanimidamide?
2-(4-methoxypiperidin-1-yl)ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)ethanimidamide is sourced from PubChem (CID 43372997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).