methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate

C14H25NO2 — CID 20714222

IUPACmethyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate
SMILESCOC(=O)/C(C)=C(\C)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-11(13(16)17-5)12(2)14(3,4)15-9-7-6-8-10-15/h6-10H2,1-5H3/b12-11+
InChIKeyYQPYQLBSWDBHKT-VAWYXSNFSA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds3

About methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate

methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate (PubChem CID 20714222) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate
PubChem CID20714222
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate
SMILESCOC(=O)/C(C)=C(\C)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-11(13(16)17-5)12(2)14(3,4)15-9-7-6-8-10-15/h6-10H2,1-5H3/b12-11+
InChIKeyYQPYQLBSWDBHKT-VAWYXSNFSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
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-trimethyl-4-piperidin-1-ylpent-2-enoate?
The IUPAC name of methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate (CID 20714222) is methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate.
What is the SMILES notation for methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate?
The canonical SMILES for methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate is COC(=O)/C(C)=C(\C)C(C)(C)N1CCCCC1.
What is the InChIKey of methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate?
The InChIKey is YQPYQLBSWDBHKT-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(13(16)17-5)12(2)14(3,4)15-9-7-6-8-10-15/h6-10H2,1-5H3/b12-11+.
What are the key properties of methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate?
methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.76, 3 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-trimethyl-4-piperidin-1-ylpent-2-enoate is sourced from PubChem (CID 20714222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).