tert-butyl 4-butylidenepiperidine-1-carboxylate

C14H25NO2 — CID 22970158

IUPACtert-butyl 4-butylidenepiperidine-1-carboxylate
SMILESCCCC=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h7H,5-6,8-11H2,1-4H3
InChIKeyYKBHFSWRSVCBCN-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl 4-butylidenepiperidine-1-carboxylate

tert-butyl 4-butylidenepiperidine-1-carboxylate (PubChem CID 22970158) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 4-butylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-butylidenepiperidine-1-carboxylate
PubChem CID22970158
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 4-butylidenepiperidine-1-carboxylate
SMILESCCCC=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h7H,5-6,8-11H2,1-4H3
InChIKeyYKBHFSWRSVCBCN-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate
CID 143297474
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-(methoxymethylidene)azepane-1-carboxylate
CID 70838203
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
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 3-(cyanomethylidene)pyrrolidine-1-carboxylate
CID 67451704

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-butylidenepiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-butylidenepiperidine-1-carboxylate (CID 22970158) is tert-butyl 4-butylidenepiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-butylidenepiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-butylidenepiperidine-1-carboxylate is CCCC=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-butylidenepiperidine-1-carboxylate?
The InChIKey is YKBHFSWRSVCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h7H,5-6,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-butylidenepiperidine-1-carboxylate?
tert-butyl 4-butylidenepiperidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-butylidenepiperidine-1-carboxylate is sourced from PubChem (CID 22970158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).