tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate

C16H29NO3 — CID 121005243

IUPACtert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate
SMILESCCC/C=C/COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-5-6-7-8-13-19-14-9-11-17(12-10-14)15(18)20-16(2,3)4/h7-8,14H,5-6,9-13H2,1-4H3/b8-7+
InChIKeyQNKQTJZIHUYTKW-BQYQJAHWSA-N
MW283.41 g/mol
LogP3.76
Rot. Bonds5

About tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate

tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate (PubChem CID 121005243) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate
PubChem CID121005243
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate
SMILESCCC/C=C/COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-5-6-7-8-13-19-14-9-11-17(12-10-14)15(18)20-16(2,3)4/h7-8,14H,5-6,9-13H2,1-4H3/b8-7+
InChIKeyQNKQTJZIHUYTKW-BQYQJAHWSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 1-oxa-9-azaspiro[5.5]undec-3-ene-9-carboxylate
CID 21955282
tert-butyl 4-[(E)-but-2-enoxy]piperidine-1-carboxylate
CID 69524362
tert-butyl 4-[(2Z,4Z)-4-(2-fluoroethyl)hepta-2,4-dien-6-ynoxy]piperidine-1-carboxylate
CID 137509915
tert-butyl 4-[(2S)-but-3-en-2-yl]oxypiperidine-1-carboxylate
CID 12128639
tert-butyl 4-[(3S)-hex-1-en-3-yl]oxypiperidine-1-carboxylate
CID 101850432
tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 125451170
tert-butyl (5R,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 125451173
tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 125451174
tert-butyl (5S,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 125451175
tert-Butyl 1-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 137702808
tert-butyl 4-ethoxy-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidine-1-carboxylate
CID 149787934
Tert-butyl 4-allyl-4-(allyloxy)piperidine-1-carboxylate
CID 21955273

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate (CID 121005243) is tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate is CCC/C=C/COC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate?
The InChIKey is QNKQTJZIHUYTKW-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H29NO3/c1-5-6-7-8-13-19-14-9-11-17(12-10-14)15(18)20-16(2,3)4/h7-8,14H,5-6,9-13H2,1-4H3/b8-7+.
What are the key properties of tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate?
tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate is sourced from PubChem (CID 121005243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).