1-(2-hydroxyethyl)piperidine-4-carboximidamide

C8H17N3O — CID 144816606

IUPAC1-(2-hydroxyethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCO)CC1
InChIInChI=1S/C8H17N3O/c9-8(10)7-1-3-11(4-2-7)5-6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeySWLRJNRVHWYLIY-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.37
Rot. Bonds3

About 1-(2-hydroxyethyl)piperidine-4-carboximidamide

1-(2-hydroxyethyl)piperidine-4-carboximidamide (PubChem CID 144816606) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)piperidine-4-carboximidamide
PubChem CID144816606
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(2-hydroxyethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCO)CC1
InChIInChI=1S/C8H17N3O/c9-8(10)7-1-3-11(4-2-7)5-6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeySWLRJNRVHWYLIY-UHFFFAOYSA-N
XLogP-0.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)piperidine-4-carboximidamide?
The IUPAC name of 1-(2-hydroxyethyl)piperidine-4-carboximidamide (CID 144816606) is 1-(2-hydroxyethyl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-hydroxyethyl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(2-hydroxyethyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)piperidine-4-carboximidamide?
The InChIKey is SWLRJNRVHWYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(10)7-1-3-11(4-2-7)5-6-12/h7,12H,1-6H2,(H3,9,10).
What are the key properties of 1-(2-hydroxyethyl)piperidine-4-carboximidamide?
1-(2-hydroxyethyl)piperidine-4-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 144816606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).