3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate

C12H19NO2 — CID 173435539

IUPAC3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC=CN1CCCCC1
InChIInChI=1S/C12H19NO2/c1-11(2)12(14)15-10-6-9-13-7-4-3-5-8-13/h6,9H,1,3-5,7-8,10H2,2H3
InChIKeyYRWSLGXNYXITJY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds4

About 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate

3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate (PubChem CID 173435539) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate
PubChem CID173435539
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC=CN1CCCCC1
InChIInChI=1S/C12H19NO2/c1-11(2)12(14)15-10-6-9-13-7-4-3-5-8-13/h6,9H,1,3-5,7-8,10H2,2H3
InChIKeyYRWSLGXNYXITJY-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoroprop-2-enyl 2-methylprop-2-enoate
CID 67041236
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
CID 126725740
2-tellanylideneethyl 2-methylprop-2-enoate
CID 24758211
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
3-triethoxysilylprop-2-enyl 2-methylprop-2-enoate
CID 86216311
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
[(1Z)-2-(2-methylprop-2-enoyloxymethyl)cyclodecen-1-yl]methyl 2-methylprop-2-enoate
CID 118047267
3-[4-[4-[3-(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]phenoxy]prop-2-enyl 2-methylprop-2-enoate
CID 123863049
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774
cyclobutane;2-methylprop-2-eneperoxoic acid
CID 174582061
hydroxymethyl 2-methylprop-2-enoate
CID 159274421

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate (CID 173435539) is 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC=CN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate?
The InChIKey is YRWSLGXNYXITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(2)12(14)15-10-6-9-13-7-4-3-5-8-13/h6,9H,1,3-5,7-8,10H2,2H3.
What are the key properties of 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate?
3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate has a molecular weight of 209.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 173435539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).