methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate

C16H29NO2 — CID 20714220

IUPACmethyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate
SMILESCOC(=O)/C(C)=C(\C)C(C)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(13(2)15(18)19-6)14(3)16(4,5)17-10-8-7-9-11-17/h14H,7-11H2,1-6H3/b13-12+
InChIKeyLBNCOFOMOVIUPI-OUKQBFOZSA-N
MW267.41 g/mol
LogP3.40
Rot. Bonds4

About methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate

methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate (PubChem CID 20714220) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate
PubChem CID20714220
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate
SMILESCOC(=O)/C(C)=C(\C)C(C)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(13(2)15(18)19-6)14(3)16(4,5)17-10-8-7-9-11-17/h14H,7-11H2,1-6H3/b13-12+
InChIKeyLBNCOFOMOVIUPI-OUKQBFOZSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate?
The IUPAC name of methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate (CID 20714220) is methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate.
What is the SMILES notation for methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate?
The canonical SMILES for methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate is COC(=O)/C(C)=C(\C)C(C)C(C)(C)N1CCCCC1.
What is the InChIKey of methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate?
The InChIKey is LBNCOFOMOVIUPI-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(13(2)15(18)19-6)14(3)16(4,5)17-10-8-7-9-11-17/h14H,7-11H2,1-6H3/b13-12+.
What are the key properties of methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate?
methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate has a molecular weight of 267.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate is sourced from PubChem (CID 20714220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).