(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate

C16H29NO2 — CID 71123112

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate
SMILESCC=C(CC)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-8-12(9-2)14(18)19-13-10-15(3,4)17(7)16(5,6)11-13/h8,13H,9-11H2,1-7H3
InChIKeyJKOIFFJWOJQHFI-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.54
Rot. Bonds3

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate (PubChem CID 71123112) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate
PubChem CID71123112
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate
SMILESCC=C(CC)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-8-12(9-2)14(18)19-13-10-15(3,4)17(7)16(5,6)11-13/h8,13H,9-11H2,1-7H3
InChIKeyJKOIFFJWOJQHFI-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.54
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 (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate (CID 71123112) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate is CC=C(CC)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate?
The InChIKey is JKOIFFJWOJQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-8-12(9-2)14(18)19-13-10-15(3,4)17(7)16(5,6)11-13/h8,13H,9-11H2,1-7H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate has a molecular weight of 267.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate is sourced from PubChem (CID 71123112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).