tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate

C14H25NO3 — CID 143297474

IUPACtert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate
SMILESCOCCC=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15-9-7-12(8-10-15)6-5-11-17-4/h6H,5,7-11H2,1-4H3
InChIKeyJZPNFFOFFDMEOB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate

tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate (PubChem CID 143297474) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate
PubChem CID143297474
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate
SMILESCOCCC=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15-9-7-12(8-10-15)6-5-11-17-4/h6H,5,7-11H2,1-4H3
InChIKeyJZPNFFOFFDMEOB-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-butylidenepiperidine-1-carboxylate
CID 22970158
tert-butyl 4-(methoxymethylidene)azepane-1-carboxylate
CID 70838203
tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate
CID 144814934
tert-butyl 4-prop-2-ynylidenepiperidine-1-carboxylate
CID 86661548
tert-butyl (4Z)-4-(2-oxoethylidene)azepane-1-carboxylate
CID 87589381
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 3-(3-aminopropylidene)azetidine-1-carboxylate
CID 126844512
CID 88986772
CID 88986772
tert-butyl 3-(cyanomethylidene)pyrrolidine-1-carboxylate
CID 67451704
tert-butyl 4-[2-[3-bromo-5-(2-methoxyethoxy)phenyl]ethenylidene]piperidine-1-carboxylate
CID 141300219
tert-butyl 4-(2-methoxyethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599664

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate (CID 143297474) is tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate is COCCC=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate?
The InChIKey is JZPNFFOFFDMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15-9-7-12(8-10-15)6-5-11-17-4/h6H,5,7-11H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate?
tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate is sourced from PubChem (CID 143297474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).