2-(1-ethanimidoylpiperidin-3-yl)ethanol

C9H18N2O — CID 59020818

IUPAC2-(1-ethanimidoylpiperidin-3-yl)ethanol
SMILES[H]/N=C(\C)N1CCCC(CCO)C1
InChIInChI=1S/C9H18N2O/c1-8(10)11-5-2-3-9(7-11)4-6-12/h9-10,12H,2-7H2,1H3/b10-8+
InChIKeyBIVCEGMNNAKJCN-CSKARUKUSA-N
MW170.26 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-ethanimidoylpiperidin-3-yl)ethanol

2-(1-ethanimidoylpiperidin-3-yl)ethanol (PubChem CID 59020818) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(1-ethanimidoylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethanimidoylpiperidin-3-yl)ethanol
PubChem CID59020818
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(1-ethanimidoylpiperidin-3-yl)ethanol
SMILES[H]/N=C(\C)N1CCCC(CCO)C1
InChIInChI=1S/C9H18N2O/c1-8(10)11-5-2-3-9(7-11)4-6-12/h9-10,12H,2-7H2,1H3/b10-8+
InChIKeyBIVCEGMNNAKJCN-CSKARUKUSA-N
XLogP1.08
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.08
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 2-(1-ethanimidoylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(1-ethanimidoylpiperidin-3-yl)ethanol (CID 59020818) is 2-(1-ethanimidoylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-ethanimidoylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(1-ethanimidoylpiperidin-3-yl)ethanol is [H]/N=C(\C)N1CCCC(CCO)C1.
What is the InChIKey of 2-(1-ethanimidoylpiperidin-3-yl)ethanol?
The InChIKey is BIVCEGMNNAKJCN-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(10)11-5-2-3-9(7-11)4-6-12/h9-10,12H,2-7H2,1H3/b10-8+.
What are the key properties of 2-(1-ethanimidoylpiperidin-3-yl)ethanol?
2-(1-ethanimidoylpiperidin-3-yl)ethanol has a molecular weight of 170.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethanimidoylpiperidin-3-yl)ethanol is sourced from PubChem (CID 59020818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).