methyl 3-piperidin-4-ylbut-3-enoate

C10H17NO2 — CID 117268304

IUPACmethyl 3-piperidin-4-ylbut-3-enoate
SMILESC=C(CC(=O)OC)C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-8(7-10(12)13-2)9-3-5-11-6-4-9/h9,11H,1,3-7H2,2H3
InChIKeyRRYYYZZJAOLRPB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds3

About methyl 3-piperidin-4-ylbut-3-enoate

methyl 3-piperidin-4-ylbut-3-enoate (PubChem CID 117268304) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 3-piperidin-4-ylbut-3-enoate.

Molecular Properties

Compound Namemethyl 3-piperidin-4-ylbut-3-enoate
PubChem CID117268304
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 3-piperidin-4-ylbut-3-enoate
SMILESC=C(CC(=O)OC)C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-8(7-10(12)13-2)9-3-5-11-6-4-9/h9,11H,1,3-7H2,2H3
InChIKeyRRYYYZZJAOLRPB-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
N-methyl-3-piperidin-4-ylbut-3-en-1-amine
CID 117268270
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl (4R)-azepane-4-carboxylate
CID 45090253
methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
CID 119344214
methyl 3-(azetidin-3-yl)-3-oxopropanoate
CID 71648241
3-piperidin-4-ylbut-3-en-1-amine
CID 117268268
methyl pyrrolidine-3-carboxylate
CID 4114360

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-4-ylbut-3-enoate?
The IUPAC name of methyl 3-piperidin-4-ylbut-3-enoate (CID 117268304) is methyl 3-piperidin-4-ylbut-3-enoate.
What is the SMILES notation for methyl 3-piperidin-4-ylbut-3-enoate?
The canonical SMILES for methyl 3-piperidin-4-ylbut-3-enoate is C=C(CC(=O)OC)C1CCNCC1.
What is the InChIKey of methyl 3-piperidin-4-ylbut-3-enoate?
The InChIKey is RRYYYZZJAOLRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(7-10(12)13-2)9-3-5-11-6-4-9/h9,11H,1,3-7H2,2H3.
What are the key properties of methyl 3-piperidin-4-ylbut-3-enoate?
methyl 3-piperidin-4-ylbut-3-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-4-ylbut-3-enoate is sourced from PubChem (CID 117268304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).