1-[(3R)-1-methylpiperidin-3-yl]ethenol

C8H15NO — CID 70262350

IUPAC1-[(3R)-1-methylpiperidin-3-yl]ethenol
SMILESC=C(O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C8H15NO/c1-7(10)8-4-3-5-9(2)6-8/h8,10H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyNGXWMWUSSNAODD-MRVPVSSYSA-N
MW141.21 g/mol
LogP1.40
Rot. Bonds1

About 1-[(3R)-1-methylpiperidin-3-yl]ethenol

1-[(3R)-1-methylpiperidin-3-yl]ethenol (PubChem CID 70262350) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(3R)-1-methylpiperidin-3-yl]ethenol.

Molecular Properties

Compound Name1-[(3R)-1-methylpiperidin-3-yl]ethenol
PubChem CID70262350
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(3R)-1-methylpiperidin-3-yl]ethenol
SMILESC=C(O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C8H15NO/c1-7(10)8-4-3-5-9(2)6-8/h8,10H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyNGXWMWUSSNAODD-MRVPVSSYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methylpiperidin-3-yl]ethenol?
The IUPAC name of 1-[(3R)-1-methylpiperidin-3-yl]ethenol (CID 70262350) is 1-[(3R)-1-methylpiperidin-3-yl]ethenol.
What is the SMILES notation for 1-[(3R)-1-methylpiperidin-3-yl]ethenol?
The canonical SMILES for 1-[(3R)-1-methylpiperidin-3-yl]ethenol is C=C(O)[C@@H]1CCCN(C)C1.
What is the InChIKey of 1-[(3R)-1-methylpiperidin-3-yl]ethenol?
The InChIKey is NGXWMWUSSNAODD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)8-4-3-5-9(2)6-8/h8,10H,1,3-6H2,2H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpiperidin-3-yl]ethenol?
1-[(3R)-1-methylpiperidin-3-yl]ethenol has a molecular weight of 141.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpiperidin-3-yl]ethenol is sourced from PubChem (CID 70262350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).