(4-ethenylpiperidin-1-yl)methyl acetate

C10H17NO2 — CID 54261484

IUPAC(4-ethenylpiperidin-1-yl)methyl acetate
SMILESC=CC1CCN(COC(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3,10H,1,4-8H2,2H3
InChIKeyRLMJMTOUDVYIFX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.40
Rot. Bonds3

About (4-ethenylpiperidin-1-yl)methyl acetate

(4-ethenylpiperidin-1-yl)methyl acetate (PubChem CID 54261484) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4-ethenylpiperidin-1-yl)methyl acetate.

Molecular Properties

Compound Name(4-ethenylpiperidin-1-yl)methyl acetate
PubChem CID54261484
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4-ethenylpiperidin-1-yl)methyl acetate
SMILESC=CC1CCN(COC(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3,10H,1,4-8H2,2H3
InChIKeyRLMJMTOUDVYIFX-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethenylpiperidin-1-yl)methyl acetate?
The IUPAC name of (4-ethenylpiperidin-1-yl)methyl acetate (CID 54261484) is (4-ethenylpiperidin-1-yl)methyl acetate.
What is the SMILES notation for (4-ethenylpiperidin-1-yl)methyl acetate?
The canonical SMILES for (4-ethenylpiperidin-1-yl)methyl acetate is C=CC1CCN(COC(C)=O)CC1.
What is the InChIKey of (4-ethenylpiperidin-1-yl)methyl acetate?
The InChIKey is RLMJMTOUDVYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3,10H,1,4-8H2,2H3.
What are the key properties of (4-ethenylpiperidin-1-yl)methyl acetate?
(4-ethenylpiperidin-1-yl)methyl acetate has a molecular weight of 183.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylpiperidin-1-yl)methyl acetate is sourced from PubChem (CID 54261484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).