tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate

C15H25NO2 — CID 23251689

IUPACtert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate
SMILESCC(C)=C/C=C1/CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)9-10-13-8-6-7-11-16(13)14(17)18-15(3,4)5/h9-10H,6-8,11H2,1-5H3/b13-10-
InChIKeyDTRDUFJPXMMQLJ-RAXLEYEMSA-N
MW251.37 g/mol
LogP4.26
Rot. Bonds1

About tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate

tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate (PubChem CID 23251689) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate
PubChem CID23251689
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate
SMILESCC(C)=C/C=C1/CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)9-10-13-8-6-7-11-16(13)14(17)18-15(3,4)5/h9-10H,6-8,11H2,1-5H3/b13-10-
InChIKeyDTRDUFJPXMMQLJ-RAXLEYEMSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15202059
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CID 176434249
N-boc-tetrahydroquinoline
CID 140630497
Tert-butyl 4-(1-fluoroprop-2-enylidene)piperidine-1-carboxylate
CID 57741959
tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
CID 163787093
tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate
CID 11042768
Tert-butyl 7-ethenyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11333557
tert-butyl 4-[(1E)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 11955054
Tert-butyl 7-(2-methylpropyl)-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 25171131
tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate
CID 122392020
t-Butyl 4-(3-methylbut-2-en-1-yl)-3,6-dihydro-pyridine-1(2h)-carboxylate
CID 129754490
tert-butyl 7-[(E)-pent-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 134857429

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate (CID 23251689) is tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate is CC(C)=C/C=C1/CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate?
The InChIKey is DTRDUFJPXMMQLJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)9-10-13-8-6-7-11-16(13)14(17)18-15(3,4)5/h9-10H,6-8,11H2,1-5H3/b13-10-.
What are the key properties of tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate?
tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2Z)-2-(3-methylbut-2-enylidene)piperidine-1-carboxylate is sourced from PubChem (CID 23251689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).