tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate

C18H29NO2 — CID 23521543

IUPACtert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCCC1C=CC=C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)21-17(20)19-14-7-6-12-16(19)13-8-11-15-9-4-5-10-15/h4-5,9-10,15-16H,6-8,11-14H2,1-3H3
InChIKeyYEDLFIUCYNEPST-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.69
Rot. Bonds4

About tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate

tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate (PubChem CID 23521543) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate
PubChem CID23521543
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nametert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCCC1C=CC=C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)21-17(20)19-14-7-6-12-16(19)13-8-11-15-9-4-5-10-15/h4-5,9-10,15-16H,6-8,11-14H2,1-3H3
InChIKeyYEDLFIUCYNEPST-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine-1-carboxylate
CID 66695465
tert-butyl 3,3-difluoro-2-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine-1-carboxylate
CID 156749688
tert-butyl (2S)-2-[[3-fluoro-6-(4-fluorocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine-1-carboxylate
CID 175760616
tert-butyl (2S,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 11219718
tert-butyl (2R,4aS,8aS)-2-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline-1-carboxylate
CID 11448106
tert-butyl 4-[(1E)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 11955054
Tert-butyl 6-azaspiro[4.5]dec-2-ene-6-carboxylate
CID 12115262
tert-butyl (1S,3S,5R)-3-ethyl-1-[(E)-prop-1-enyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 134853666
tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 134856938
tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 134982303
Tert-butyl 6-azaspiro[4.12]heptadec-2-ene-6-carboxylate
CID 134999460
tert-butyl (Z)-2-(3-cyclohexylallyl)pyrrolidine-1-carboxylate
CID 156025023

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate (CID 23521543) is tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CCCC1C=CC=C1.
What is the InChIKey of tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate?
The InChIKey is YEDLFIUCYNEPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)21-17(20)19-14-7-6-12-16(19)13-8-11-15-9-4-5-10-15/h4-5,9-10,15-16H,6-8,11-14H2,1-3H3.
What are the key properties of tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate?
tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate has a molecular weight of 291.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 23521543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).