tert-butyl 4-methylidenepiperidine-1-carboxylate

C11H19NO2 — CID 2756808

IUPACtert-butyl 4-methylidenepiperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3
InChIKeyPDTZMULNKGUIEJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds

About tert-butyl 4-methylidenepiperidine-1-carboxylate

tert-butyl 4-methylidenepiperidine-1-carboxylate (PubChem CID 2756808) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl 4-methylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methylidenepiperidine-1-carboxylate
PubChem CID2756808
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl 4-methylidenepiperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3
InChIKeyPDTZMULNKGUIEJ-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
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

ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
CID 88986772
CID 88986772
tert-butyl 4,4-difluoro-5-methylideneazepane-1-carboxylate
CID 138039661
tert-butyl 3,3-dimethyl-4-methylidenepiperidine-1-carboxylate
CID 10632966
tert-butyl 4-(methylideneamino)piperazine-1-carboxylate
CID 155157798
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 19955570
tert-butyl 4-iminoazepane-1-carboxylate
CID 58958450

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylidenepiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methylidenepiperidine-1-carboxylate (CID 2756808) is tert-butyl 4-methylidenepiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methylidenepiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methylidenepiperidine-1-carboxylate is C=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methylidenepiperidine-1-carboxylate?
The InChIKey is PDTZMULNKGUIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3.
What are the key properties of tert-butyl 4-methylidenepiperidine-1-carboxylate?
tert-butyl 4-methylidenepiperidine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylidenepiperidine-1-carboxylate is sourced from PubChem (CID 2756808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).