(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate

C18H31NO4 — CID 90295268

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H31NO4/c1-6-15(20)22-11-9-7-8-10-16(21)23-14-12-17(2,3)19-18(4,5)13-14/h6,14,19H,1,7-13H2,2-5H3
InChIKeyXSXGQEKUYNZAJK-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.13
Rot. Bonds8

About (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate

(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate (PubChem CID 90295268) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
PubChem CID90295268
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H31NO4/c1-6-15(20)22-11-9-7-8-10-16(21)23-14-12-17(2,3)19-18(4,5)13-14/h6,14,19H,1,7-13H2,2-5H3
InChIKeyXSXGQEKUYNZAJK-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
CID 137378199
(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxodecanoate
CID 126551822
[(3S,4R)-3,4-bis(5-prop-2-enoyloxypentanoyloxy)cyclohexyl] 5-prop-2-enoyloxypentanoate
CID 118150684
[(1S,2S,3S,4R)-2,3,4-tris(5-prop-2-enoyloxypentanoyloxy)cyclohexyl] 5-prop-2-enoyloxypentanoate
CID 118406595
1-O-(2-hydroxyethyl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 70364233
(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
6-prop-2-enoyloxyhexyl octanoate
CID 54500825
ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate (CID 90295268) is (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate is C=CC(=O)OCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate?
The InChIKey is XSXGQEKUYNZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-6-15(20)22-11-9-7-8-10-16(21)23-14-12-17(2,3)19-18(4,5)13-14/h6,14,19H,1,7-13H2,2-5H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate has a molecular weight of 325.45 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 90295268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).