(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate

C22H41NO3 — CID 141336453

IUPAC(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C)(C)N(OCCCCCCCCC)C1(C)C
InChIInChI=1S/C22H41NO3/c1-8-10-11-12-13-14-15-16-25-23-21(4,5)17-18(3)20(22(23,6)7)26-19(24)9-2/h9,18,20H,2,8,10-17H2,1,3-7H3
InChIKeyJBMDHCGEMCZDLE-UHFFFAOYSA-N
MW367.57 g/mol
LogP5.67
Rot. Bonds11

About (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate

(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate (PubChem CID 141336453) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate
PubChem CID141336453
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Name(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C)(C)N(OCCCCCCCCC)C1(C)C
InChIInChI=1S/C22H41NO3/c1-8-10-11-12-13-14-15-16-25-23-21(4,5)17-18(3)20(22(23,6)7)26-19(24)9-2/h9,18,20H,2,8,10-17H2,1,3-7H3
InChIKeyJBMDHCGEMCZDLE-UHFFFAOYSA-N
XLogP5.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.57
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
CID 141336457
(1-amino-2,2,4,6,6-pentamethylpiperidin-3-yl) prop-2-enoate
CID 150731669
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
(4-decoxycyclohexyl) prop-2-enoate
CID 141237314
(2,2,5,5-tetramethyl-1-propoxypyrrolidin-3-yl) hexanoate
CID 122414780

Frequently Asked Questions

What is the IUPAC name of (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate?
The IUPAC name of (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate (CID 141336453) is (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate.
What is the SMILES notation for (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate?
The canonical SMILES for (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate is C=CC(=O)OC1C(C)CC(C)(C)N(OCCCCCCCCC)C1(C)C.
What is the InChIKey of (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate?
The InChIKey is JBMDHCGEMCZDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO3/c1-8-10-11-12-13-14-15-16-25-23-21(4,5)17-18(3)20(22(23,6)7)26-19(24)9-2/h9,18,20H,2,8,10-17H2,1,3-7H3.
What are the key properties of (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate?
(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate has a molecular weight of 367.57 g/mol, XLogP of 5.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate is sourced from PubChem (CID 141336453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).