2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol

C9H17NO — CID 22825905

IUPAC2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
SMILESC=C[C@H]1CNCC[C@H]1CCO
InChIInChI=1S/C9H17NO/c1-2-8-7-10-5-3-9(8)4-6-11/h2,8-11H,1,3-7H2/t8-,9-/m0/s1
InChIKeyWGFFCAPZGHDUPA-IUCAKERBSA-N
MW155.24 g/mol
LogP0.78
Rot. Bonds3

About 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol

2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol (PubChem CID 22825905) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
PubChem CID22825905
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
SMILESC=C[C@H]1CNCC[C@H]1CCO
InChIInChI=1S/C9H17NO/c1-2-8-7-10-5-3-9(8)4-6-11/h2,8-11H,1,3-7H2/t8-,9-/m0/s1
InChIKeyWGFFCAPZGHDUPA-IUCAKERBSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.78
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-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol (CID 22825905) is 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol is C=C[C@H]1CNCC[C@H]1CCO.
What is the InChIKey of 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
The InChIKey is WGFFCAPZGHDUPA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8-7-10-5-3-9(8)4-6-11/h2,8-11H,1,3-7H2/t8-,9-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol has a molecular weight of 155.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol is sourced from PubChem (CID 22825905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).