methyl (E)-2-piperidin-4-ylbut-2-enoate

C10H17NO2 — CID 70057318

IUPACmethyl (E)-2-piperidin-4-ylbut-2-enoate
SMILESC/C=C(/C(=O)OC)C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-9(10(12)13-2)8-4-6-11-7-5-8/h3,8,11H,4-7H2,1-2H3/b9-3+
InChIKeyDPJFMEGKTXSQAI-YCRREMRBSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds2

About methyl (E)-2-piperidin-4-ylbut-2-enoate

methyl (E)-2-piperidin-4-ylbut-2-enoate (PubChem CID 70057318) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (E)-2-piperidin-4-ylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-piperidin-4-ylbut-2-enoate
PubChem CID70057318
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (E)-2-piperidin-4-ylbut-2-enoate
SMILESC/C=C(/C(=O)OC)C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-9(10(12)13-2)8-4-6-11-7-5-8/h3,8,11H,4-7H2,1-2H3/b9-3+
InChIKeyDPJFMEGKTXSQAI-YCRREMRBSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-piperidin-4-ylbut-2-enoate?
The IUPAC name of methyl (E)-2-piperidin-4-ylbut-2-enoate (CID 70057318) is methyl (E)-2-piperidin-4-ylbut-2-enoate.
What is the SMILES notation for methyl (E)-2-piperidin-4-ylbut-2-enoate?
The canonical SMILES for methyl (E)-2-piperidin-4-ylbut-2-enoate is C/C=C(/C(=O)OC)C1CCNCC1.
What is the InChIKey of methyl (E)-2-piperidin-4-ylbut-2-enoate?
The InChIKey is DPJFMEGKTXSQAI-YCRREMRBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-9(10(12)13-2)8-4-6-11-7-5-8/h3,8,11H,4-7H2,1-2H3/b9-3+.
What are the key properties of methyl (E)-2-piperidin-4-ylbut-2-enoate?
methyl (E)-2-piperidin-4-ylbut-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-piperidin-4-ylbut-2-enoate is sourced from PubChem (CID 70057318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).