tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate

C14H23NO2 — CID 134982303

IUPACtert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
SMILESC=C/C=C\C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h5-7,12H,1,8-11H2,2-4H3/b7-6-
InChIKeyOSRVYHUYPPXFSE-SREVYHEPSA-N
MW237.34 g/mol
LogP3.38
Rot. Bonds2

About tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate

tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate (PubChem CID 134982303) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
PubChem CID134982303
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
SMILESC=C/C=C\C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h5-7,12H,1,8-11H2,2-4H3/b7-6-
InChIKeyOSRVYHUYPPXFSE-SREVYHEPSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 135345221
tert-butyl 4-[(E)-3-amino-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 122714834
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 11474132
tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane
CID 123745424
bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67067068
tert-butyl 4-[2-(4-methylsulfanylphenyl)ethenyl]piperidine-1-carboxylate
CID 67082506
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626
tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate
CID 144773835
tert-butyl 4-[(E)-2-(2-fluorophenyl)ethenyl]piperidine-1-carboxylate
CID 59686411

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate (CID 134982303) is tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate is C=C/C=C\C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate?
The InChIKey is OSRVYHUYPPXFSE-SREVYHEPSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h5-7,12H,1,8-11H2,2-4H3/b7-6-.
What are the key properties of tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate?
tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate is sourced from PubChem (CID 134982303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).