(2-methylpiperidin-4-yl) prop-2-enoate

C9H15NO2 — CID 22069029

IUPAC(2-methylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCNC(C)C1
InChIInChI=1S/C9H15NO2/c1-3-9(11)12-8-4-5-10-7(2)6-8/h3,7-8,10H,1,4-6H2,2H3
InChIKeyYHVDJTGPFJBAMR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds2

About (2-methylpiperidin-4-yl) prop-2-enoate

(2-methylpiperidin-4-yl) prop-2-enoate (PubChem CID 22069029) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2-methylpiperidin-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-methylpiperidin-4-yl) prop-2-enoate
PubChem CID22069029
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2-methylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCNC(C)C1
InChIInChI=1S/C9H15NO2/c1-3-9(11)12-8-4-5-10-7(2)6-8/h3,7-8,10H,1,4-6H2,2H3
InChIKeyYHVDJTGPFJBAMR-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-methylpiperidin-4-yl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-4-yl) prop-2-enoate?
The IUPAC name of (2-methylpiperidin-4-yl) prop-2-enoate (CID 22069029) is (2-methylpiperidin-4-yl) prop-2-enoate.
What is the SMILES notation for (2-methylpiperidin-4-yl) prop-2-enoate?
The canonical SMILES for (2-methylpiperidin-4-yl) prop-2-enoate is C=CC(=O)OC1CCNC(C)C1.
What is the InChIKey of (2-methylpiperidin-4-yl) prop-2-enoate?
The InChIKey is YHVDJTGPFJBAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(11)12-8-4-5-10-7(2)6-8/h3,7-8,10H,1,4-6H2,2H3.
What are the key properties of (2-methylpiperidin-4-yl) prop-2-enoate?
(2-methylpiperidin-4-yl) prop-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-4-yl) prop-2-enoate is sourced from PubChem (CID 22069029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).