tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate

C14H25NO2 — CID 122392020

IUPACtert-butyl (2E)-2-butylidenepiperidine-1-carboxylate
SMILESCCC/C=C1\CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-9-12-10-7-8-11-15(12)13(16)17-14(2,3)4/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyIZLJVVFFGOGVDR-FMIVXFBMSA-N
MW239.36 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate

tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate (PubChem CID 122392020) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2E)-2-butylidenepiperidine-1-carboxylate
PubChem CID122392020
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl (2E)-2-butylidenepiperidine-1-carboxylate
SMILESCCC/C=C1\CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-9-12-10-7-8-11-15(12)13(16)17-14(2,3)4/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyIZLJVVFFGOGVDR-FMIVXFBMSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.09
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
Tert-butyl 4-(2-methylprop-1-enyl)piperidine-1-carboxylate
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1-(tert-Butoxycarbonyl)-6-methyl-2-n-undecyl-1,2,3,4-tetrahydropyridine
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N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
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N-boc2-azanorbornene
CID 140220968
N-boc-tetrahydroquinoline
CID 140630497
tert-butyl 4-[(Z)-prop-1-enyl]piperidine-1-carboxylate
CID 144493286
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 7-(2-methylpropyl)-2,3,4,5-tetrahydroazepine-1-carboxylate
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tert-butyl (6Z)-1-azacycloundec-6-ene-1-carboxylate
CID 101724569

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate (CID 122392020) is tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate is CCC/C=C1\CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate?
The InChIKey is IZLJVVFFGOGVDR-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-6-9-12-10-7-8-11-15(12)13(16)17-14(2,3)4/h9H,5-8,10-11H2,1-4H3/b12-9+.
What are the key properties of tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate?
tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate is sourced from PubChem (CID 122392020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).