2-(3-methylidenepiperidin-4-yl)ethanol

C8H15NO — CID 22928791

IUPAC2-(3-methylidenepiperidin-4-yl)ethanol
SMILESC=C1CNCCC1CCO
InChIInChI=1S/C8H15NO/c1-7-6-9-4-2-8(7)3-5-10/h8-10H,1-6H2
InChIKeyMFDBDMMEOLNYKX-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds2

About 2-(3-methylidenepiperidin-4-yl)ethanol

2-(3-methylidenepiperidin-4-yl)ethanol (PubChem CID 22928791) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(3-methylidenepiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylidenepiperidin-4-yl)ethanol
PubChem CID22928791
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(3-methylidenepiperidin-4-yl)ethanol
SMILESC=C1CNCCC1CCO
InChIInChI=1S/C8H15NO/c1-7-6-9-4-2-8(7)3-5-10/h8-10H,1-6H2
InChIKeyMFDBDMMEOLNYKX-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
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 2-(3-methylidenepiperidin-4-yl)ethanol?
The IUPAC name of 2-(3-methylidenepiperidin-4-yl)ethanol (CID 22928791) is 2-(3-methylidenepiperidin-4-yl)ethanol.
What is the SMILES notation for 2-(3-methylidenepiperidin-4-yl)ethanol?
The canonical SMILES for 2-(3-methylidenepiperidin-4-yl)ethanol is C=C1CNCCC1CCO.
What is the InChIKey of 2-(3-methylidenepiperidin-4-yl)ethanol?
The InChIKey is MFDBDMMEOLNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-6-9-4-2-8(7)3-5-10/h8-10H,1-6H2.
What are the key properties of 2-(3-methylidenepiperidin-4-yl)ethanol?
2-(3-methylidenepiperidin-4-yl)ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenepiperidin-4-yl)ethanol is sourced from PubChem (CID 22928791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).