4-ethoxypiperidine-1-carboximidamide

C8H17N3O — CID 57301153

IUPAC4-ethoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(OCC)CC1
InChIInChI=1S/C8H17N3O/c1-2-12-7-3-5-11(6-4-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyJXPSRSUUIDWJNA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.38
Rot. Bonds2

About 4-ethoxypiperidine-1-carboximidamide

4-ethoxypiperidine-1-carboximidamide (PubChem CID 57301153) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-ethoxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxypiperidine-1-carboximidamide
PubChem CID57301153
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-ethoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(OCC)CC1
InChIInChI=1S/C8H17N3O/c1-2-12-7-3-5-11(6-4-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyJXPSRSUUIDWJNA-UHFFFAOYSA-N
XLogP0.38
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.38
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-ethoxypiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxypiperidine-1-carboximidamide (CID 57301153) is 4-ethoxypiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxypiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxypiperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxypiperidine-1-carboximidamide?
The InChIKey is JXPSRSUUIDWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-12-7-3-5-11(6-4-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 4-ethoxypiperidine-1-carboximidamide?
4-ethoxypiperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypiperidine-1-carboximidamide is sourced from PubChem (CID 57301153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).