1-piperidin-1-ylethyl 2-methylprop-2-enoate

C11H19NO2 — CID 18694577

IUPAC1-piperidin-1-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)11(13)14-10(3)12-7-5-4-6-8-12/h10H,1,4-8H2,2-3H3
InChIKeyWBSRSTJFAJYIDW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds3

About 1-piperidin-1-ylethyl 2-methylprop-2-enoate

1-piperidin-1-ylethyl 2-methylprop-2-enoate (PubChem CID 18694577) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-piperidin-1-ylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-piperidin-1-ylethyl 2-methylprop-2-enoate
PubChem CID18694577
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-piperidin-1-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)11(13)14-10(3)12-7-5-4-6-8-12/h10H,1,4-8H2,2-3H3
InChIKeyWBSRSTJFAJYIDW-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylethyl 2-methylprop-2-enoate?
The IUPAC name of 1-piperidin-1-ylethyl 2-methylprop-2-enoate (CID 18694577) is 1-piperidin-1-ylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-piperidin-1-ylethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-piperidin-1-ylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylethyl 2-methylprop-2-enoate?
The InChIKey is WBSRSTJFAJYIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)11(13)14-10(3)12-7-5-4-6-8-12/h10H,1,4-8H2,2-3H3.
What are the key properties of 1-piperidin-1-ylethyl 2-methylprop-2-enoate?
1-piperidin-1-ylethyl 2-methylprop-2-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18694577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).