1-(4-methylpiperidin-3-yl)ethenol

C8H15NO — CID 58228679

IUPAC1-(4-methylpiperidin-3-yl)ethenol
SMILESC=C(O)C1CNCCC1C
InChIInChI=1S/C8H15NO/c1-6-3-4-9-5-8(6)7(2)10/h6,8-10H,2-5H2,1H3
InChIKeyIBYVUSVYRGBFRB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.30
Rot. Bonds1

About 1-(4-methylpiperidin-3-yl)ethenol

1-(4-methylpiperidin-3-yl)ethenol (PubChem CID 58228679) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(4-methylpiperidin-3-yl)ethenol.

Molecular Properties

Compound Name1-(4-methylpiperidin-3-yl)ethenol
PubChem CID58228679
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(4-methylpiperidin-3-yl)ethenol
SMILESC=C(O)C1CNCCC1C
InChIInChI=1S/C8H15NO/c1-6-3-4-9-5-8(6)7(2)10/h6,8-10H,2-5H2,1H3
InChIKeyIBYVUSVYRGBFRB-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
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-(4-methylpiperidin-3-yl)ethenol?
The IUPAC name of 1-(4-methylpiperidin-3-yl)ethenol (CID 58228679) is 1-(4-methylpiperidin-3-yl)ethenol.
What is the SMILES notation for 1-(4-methylpiperidin-3-yl)ethenol?
The canonical SMILES for 1-(4-methylpiperidin-3-yl)ethenol is C=C(O)C1CNCCC1C.
What is the InChIKey of 1-(4-methylpiperidin-3-yl)ethenol?
The InChIKey is IBYVUSVYRGBFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-3-4-9-5-8(6)7(2)10/h6,8-10H,2-5H2,1H3.
What are the key properties of 1-(4-methylpiperidin-3-yl)ethenol?
1-(4-methylpiperidin-3-yl)ethenol has a molecular weight of 141.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-3-yl)ethenol is sourced from PubChem (CID 58228679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).