(1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate

C17H31NO2 — CID 141275811

IUPAC(1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C)(C)N(CCCC)C1(C)C
InChIInChI=1S/C17H31NO2/c1-8-10-11-18-16(4,5)12-13(3)15(17(18,6)7)20-14(19)9-2/h9,13,15H,2,8,10-12H2,1,3-7H3
InChIKeyGDVGVILVZQNHMH-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.78
Rot. Bonds5

About (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate

(1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate (PubChem CID 141275811) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate
PubChem CID141275811
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C)(C)N(CCCC)C1(C)C
InChIInChI=1S/C17H31NO2/c1-8-10-11-18-16(4,5)12-13(3)15(17(18,6)7)20-14(19)9-2/h9,13,15H,2,8,10-12H2,1,3-7H3
InChIKeyGDVGVILVZQNHMH-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-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 (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
The IUPAC name of (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate (CID 141275811) is (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate.
What is the SMILES notation for (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
The canonical SMILES for (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate is C=CC(=O)OC1C(C)CC(C)(C)N(CCCC)C1(C)C.
What is the InChIKey of (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
The InChIKey is GDVGVILVZQNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-8-10-11-18-16(4,5)12-13(3)15(17(18,6)7)20-14(19)9-2/h9,13,15H,2,8,10-12H2,1,3-7H3.
What are the key properties of (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
(1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate has a molecular weight of 281.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate is sourced from PubChem (CID 141275811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).