(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate

C15H27NO2 — CID 12991970

IUPAC(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(CC)N(C)C(C)(CC)C1
InChIInChI=1S/C15H27NO2/c1-7-13(17)18-12-10-14(4,8-2)16(6)15(5,9-3)11-12/h7,12H,1,8-11H2,2-6H3
InChIKeyLDGPODFENWXERA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds4

About (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate

(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate (PubChem CID 12991970) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate
PubChem CID12991970
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(CC)N(C)C(C)(CC)C1
InChIInChI=1S/C15H27NO2/c1-7-13(17)18-12-10-14(4,8-2)16(6)15(5,9-3)11-12/h7,12H,1,8-11H2,2-6H3
InChIKeyLDGPODFENWXERA-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
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 (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
The IUPAC name of (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate (CID 12991970) is (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate.
What is the SMILES notation for (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
The canonical SMILES for (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate is C=CC(=O)OC1CC(C)(CC)N(C)C(C)(CC)C1.
What is the InChIKey of (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
The InChIKey is LDGPODFENWXERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-7-13(17)18-12-10-14(4,8-2)16(6)15(5,9-3)11-12/h7,12H,1,8-11H2,2-6H3.
What are the key properties of (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate has a molecular weight of 253.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) prop-2-enoate is sourced from PubChem (CID 12991970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).