[2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate

C18H29NO4 — CID 19098679

IUPAC[2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)CN1C(C)(C)CC(OC(=O)C=C)CC1(C)C
InChIInChI=1S/C18H29NO4/c1-8-15(20)22-13(3)12-19-17(4,5)10-14(11-18(19,6)7)23-16(21)9-2/h8-9,13-14H,1-2,10-12H2,3-7H3
InChIKeySGFRVEOQYKREMH-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.85
Rot. Bonds6

About [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate

[2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate (PubChem CID 19098679) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate
PubChem CID19098679
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name[2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)CN1C(C)(C)CC(OC(=O)C=C)CC1(C)C
InChIInChI=1S/C18H29NO4/c1-8-15(20)22-13(3)12-19-17(4,5)10-14(11-18(19,6)7)23-16(21)9-2/h8-9,13-14H,1-2,10-12H2,3-7H3
InChIKeySGFRVEOQYKREMH-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate?
The IUPAC name of [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate (CID 19098679) is [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate.
What is the SMILES notation for [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate?
The canonical SMILES for [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate is C=CC(=O)OC(C)CN1C(C)(C)CC(OC(=O)C=C)CC1(C)C.
What is the InChIKey of [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate?
The InChIKey is SGFRVEOQYKREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-8-15(20)22-13(3)12-19-17(4,5)10-14(11-18(19,6)7)23-16(21)9-2/h8-9,13-14H,1-2,10-12H2,3-7H3.
What are the key properties of [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate?
[2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate has a molecular weight of 323.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,6,6-tetramethyl-1-(2-prop-2-enoyloxypropyl)piperidin-4-yl] prop-2-enoate is sourced from PubChem (CID 19098679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).