(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate

C15H25NO2 — CID 12991969

IUPAC(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate
SMILESC=CCN1C(C)(C)CC(OC(=O)C=C)CC1(C)C
InChIInChI=1S/C15H25NO2/c1-7-9-16-14(3,4)10-12(11-15(16,5)6)18-13(17)8-2/h7-8,12H,1-2,9-11H2,3-6H3
InChIKeyZJDQEXVSDBUKPW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.92
Rot. Bonds4

About (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate

(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate (PubChem CID 12991969) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate
PubChem CID12991969
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate
SMILESC=CCN1C(C)(C)CC(OC(=O)C=C)CC1(C)C
InChIInChI=1S/C15H25NO2/c1-7-9-16-14(3,4)10-12(11-15(16,5)6)18-13(17)8-2/h7-8,12H,1-2,9-11H2,3-6H3
InChIKeyZJDQEXVSDBUKPW-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate?
The IUPAC name of (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate (CID 12991969) is (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate.
What is the SMILES notation for (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate?
The canonical SMILES for (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate is C=CCN1C(C)(C)CC(OC(=O)C=C)CC1(C)C.
What is the InChIKey of (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate?
The InChIKey is ZJDQEXVSDBUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-9-16-14(3,4)10-12(11-15(16,5)6)18-13(17)8-2/h7-8,12H,1-2,9-11H2,3-6H3.
What are the key properties of (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate?
(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate has a molecular weight of 251.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl) prop-2-enoate is sourced from PubChem (CID 12991969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).