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

C13H24N2O2 — CID 150731669

IUPAC(1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C)(C)N(N)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-7-10(16)17-11-9(2)8-12(3,4)15(14)13(11,5)6/h7,9,11H,1,8,14H2,2-6H3
InChIKeyJRYSCYAYGCCJCF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.86
Rot. Bonds2

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

(1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate (PubChem CID 150731669) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate
PubChem CID150731669
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C)(C)N(N)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-7-10(16)17-11-9(2)8-12(3,4)15(14)13(11,5)6/h7,9,11H,1,8,14H2,2-6H3
InChIKeyJRYSCYAYGCCJCF-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate
CID 141336453
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate
CID 144639404
(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate
CID 58165583
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
CID 141336457
methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate
CID 54179873
(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141256666
(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141152931
(5-methyloxolan-2-yl) prop-2-enoate
CID 54024158
[2-[4-methyl-1-(4-methylcyclohexyl)cyclohexyl]-2-oxoethyl] prop-2-enoate
CID 89253620
(5-methyl-4-tricyclo[5.3.1.13,9]dodecanyl) prop-2-enoate
CID 130312887

Frequently Asked Questions

What is the IUPAC name of (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
The IUPAC name of (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate (CID 150731669) is (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate.
What is the SMILES notation for (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
The canonical SMILES for (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate is C=CC(=O)OC1C(C)CC(C)(C)N(N)C1(C)C.
What is the InChIKey of (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
The InChIKey is JRYSCYAYGCCJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7-10(16)17-11-9(2)8-12(3,4)15(14)13(11,5)6/h7,9,11H,1,8,14H2,2-6H3.
What are the key properties of (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate?
(1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate has a molecular weight of 240.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate is sourced from PubChem (CID 150731669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).