2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide

C9H19N3O — CID 24705744

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCCC1CCO
InChIInChI=1S/C9H19N3O/c10-9(11)7-12-5-2-1-3-8(12)4-6-13/h8,13H,1-7H2,(H3,10,11)
InChIKeyDUKPVVPMHHKLOK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide

2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide (PubChem CID 24705744) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide
PubChem CID24705744
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCCC1CCO
InChIInChI=1S/C9H19N3O/c10-9(11)7-12-5-2-1-3-8(12)4-6-13/h8,13H,1-7H2,(H3,10,11)
InChIKeyDUKPVVPMHHKLOK-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.16
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 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide (CID 24705744) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCCCC1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide?
The InChIKey is DUKPVVPMHHKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-9(11)7-12-5-2-1-3-8(12)4-6-13/h8,13H,1-7H2,(H3,10,11).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide?
2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 24705744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).