(4-prop-2-enylpiperidin-4-yl) acetate

C10H17NO2 — CID 123378499

IUPAC(4-prop-2-enylpiperidin-4-yl) acetate
SMILESC=CCC1(OC(C)=O)CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-4-10(13-9(2)12)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3
InChIKeyMSIQDKQYZWYOGY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds3

About (4-prop-2-enylpiperidin-4-yl) acetate

(4-prop-2-enylpiperidin-4-yl) acetate (PubChem CID 123378499) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4-prop-2-enylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(4-prop-2-enylpiperidin-4-yl) acetate
PubChem CID123378499
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4-prop-2-enylpiperidin-4-yl) acetate
SMILESC=CCC1(OC(C)=O)CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-4-10(13-9(2)12)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3
InChIKeyMSIQDKQYZWYOGY-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
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-prop-2-enylpiperidin-4-yl) acetate?
The IUPAC name of (4-prop-2-enylpiperidin-4-yl) acetate (CID 123378499) is (4-prop-2-enylpiperidin-4-yl) acetate.
What is the SMILES notation for (4-prop-2-enylpiperidin-4-yl) acetate?
The canonical SMILES for (4-prop-2-enylpiperidin-4-yl) acetate is C=CCC1(OC(C)=O)CCNCC1.
What is the InChIKey of (4-prop-2-enylpiperidin-4-yl) acetate?
The InChIKey is MSIQDKQYZWYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-10(13-9(2)12)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3.
What are the key properties of (4-prop-2-enylpiperidin-4-yl) acetate?
(4-prop-2-enylpiperidin-4-yl) acetate has a molecular weight of 183.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enylpiperidin-4-yl) acetate is sourced from PubChem (CID 123378499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).