methyl 2-piperidin-4-ylbut-2-enoate

C10H17NO2 — CID 70057320

IUPACmethyl 2-piperidin-4-ylbut-2-enoate
SMILESCC=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
InChIKeyDPJFMEGKTXSQAI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds2

About methyl 2-piperidin-4-ylbut-2-enoate

methyl 2-piperidin-4-ylbut-2-enoate (PubChem CID 70057320) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-piperidin-4-ylbut-2-enoate.

Molecular Properties

Compound Namemethyl 2-piperidin-4-ylbut-2-enoate
PubChem CID70057320
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-piperidin-4-ylbut-2-enoate
SMILESCC=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
InChIKeyDPJFMEGKTXSQAI-UHFFFAOYSA-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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Related Compounds

Methyl 4-piperidin-4-ylbut-2-enoate
CID 53926868
Ethyl 4-(2-ethoxy-2-oxoethylidene)piperidine-3-carboxylate
CID 57276532
Ethyl 2-(piperidin-4-yl)prop-2-enoate
CID 68330060
Prop-2-enyl 2-pyrrolidin-3-ylbut-2-enoate
CID 69629906
Methyl 2-pyrrolidin-3-ylbut-2-enoate
CID 69630083
Ethyl 2-pyrrolidin-3-ylbut-2-enoate
CID 69630517
methyl (E)-2-piperidin-4-ylbut-2-enoate
CID 70057318
Ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate
CID 89206049
methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate
CID 122678332
methyl (2E)-3-(piperidin-4-yl)prop-2-enoate
CID 133638002
(E)-2-piperidin-4-ylbut-2-enoic acid
CID 141449418
(E)-2-piperidin-4-ylbut-2-enoic acid;hydrochloride
CID 141449433

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-4-ylbut-2-enoate?
The IUPAC name of methyl 2-piperidin-4-ylbut-2-enoate (CID 70057320) is methyl 2-piperidin-4-ylbut-2-enoate.
What is the SMILES notation for methyl 2-piperidin-4-ylbut-2-enoate?
The canonical SMILES for methyl 2-piperidin-4-ylbut-2-enoate is CC=C(C(=O)OC)C1CCNCC1.
What is the InChIKey of methyl 2-piperidin-4-ylbut-2-enoate?
The InChIKey is DPJFMEGKTXSQAI-UHFFFAOYSA-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.
What are the key properties of methyl 2-piperidin-4-ylbut-2-enoate?
methyl 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 2-piperidin-4-ylbut-2-enoate is sourced from PubChem (CID 70057320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).