(4-ethenyl-1-methylpiperidin-3-yl)methanol

C9H17NO — CID 166946029

IUPAC(4-ethenyl-1-methylpiperidin-3-yl)methanol
SMILESC=CC1CCN(C)CC1CO
InChIInChI=1S/C9H17NO/c1-3-8-4-5-10(2)6-9(8)7-11/h3,8-9,11H,1,4-7H2,2H3
InChIKeyUWPLNROMWDBYLR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.73
Rot. Bonds2

About (4-ethenyl-1-methylpiperidin-3-yl)methanol

(4-ethenyl-1-methylpiperidin-3-yl)methanol (PubChem CID 166946029) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4-ethenyl-1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-1-methylpiperidin-3-yl)methanol
PubChem CID166946029
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4-ethenyl-1-methylpiperidin-3-yl)methanol
SMILESC=CC1CCN(C)CC1CO
InChIInChI=1S/C9H17NO/c1-3-8-4-5-10(2)6-9(8)7-11/h3,8-9,11H,1,4-7H2,2H3
InChIKeyUWPLNROMWDBYLR-UHFFFAOYSA-N
XLogP0.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.73
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 (4-ethenyl-1-methylpiperidin-3-yl)methanol?
The IUPAC name of (4-ethenyl-1-methylpiperidin-3-yl)methanol (CID 166946029) is (4-ethenyl-1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for (4-ethenyl-1-methylpiperidin-3-yl)methanol?
The canonical SMILES for (4-ethenyl-1-methylpiperidin-3-yl)methanol is C=CC1CCN(C)CC1CO.
What is the InChIKey of (4-ethenyl-1-methylpiperidin-3-yl)methanol?
The InChIKey is UWPLNROMWDBYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8-4-5-10(2)6-9(8)7-11/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of (4-ethenyl-1-methylpiperidin-3-yl)methanol?
(4-ethenyl-1-methylpiperidin-3-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 166946029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).