(2E)-2-(1-methylpiperidin-3-ylidene)ethanol

C8H15NO — CID 115011418

IUPAC(2E)-2-(1-methylpiperidin-3-ylidene)ethanol
SMILESCN1CCC/C(=C\CO)C1
InChIInChI=1S/C8H15NO/c1-9-5-2-3-8(7-9)4-6-10/h4,10H,2-3,5-7H2,1H3/b8-4+
InChIKeyKOPJYLCHKOVXKI-XBXARRHUSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds1

About (2E)-2-(1-methylpiperidin-3-ylidene)ethanol

(2E)-2-(1-methylpiperidin-3-ylidene)ethanol (PubChem CID 115011418) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E)-2-(1-methylpiperidin-3-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(1-methylpiperidin-3-ylidene)ethanol
PubChem CID115011418
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E)-2-(1-methylpiperidin-3-ylidene)ethanol
SMILESCN1CCC/C(=C\CO)C1
InChIInChI=1S/C8H15NO/c1-9-5-2-3-8(7-9)4-6-10/h4,10H,2-3,5-7H2,1H3/b8-4+
InChIKeyKOPJYLCHKOVXKI-XBXARRHUSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-methylpiperidin-3-ylidene)ethanol?
The IUPAC name of (2E)-2-(1-methylpiperidin-3-ylidene)ethanol (CID 115011418) is (2E)-2-(1-methylpiperidin-3-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(1-methylpiperidin-3-ylidene)ethanol?
The canonical SMILES for (2E)-2-(1-methylpiperidin-3-ylidene)ethanol is CN1CCC/C(=C\CO)C1.
What is the InChIKey of (2E)-2-(1-methylpiperidin-3-ylidene)ethanol?
The InChIKey is KOPJYLCHKOVXKI-XBXARRHUSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-2-3-8(7-9)4-6-10/h4,10H,2-3,5-7H2,1H3/b8-4+.
What are the key properties of (2E)-2-(1-methylpiperidin-3-ylidene)ethanol?
(2E)-2-(1-methylpiperidin-3-ylidene)ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-methylpiperidin-3-ylidene)ethanol is sourced from PubChem (CID 115011418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).