tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate

C12H21NO2 — CID 152995833

IUPACtert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
SMILESC=C1CCC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-9-6-7-10(2)13(8-9)11(14)15-12(3,4)5/h10H,1,6-8H2,2-5H3
InChIKeyUXEMSWHWAGMUDG-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.96
Rot. Bonds

About tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate

tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate (PubChem CID 152995833) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
PubChem CID152995833
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
SMILESC=C1CCC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-9-6-7-10(2)13(8-9)11(14)15-12(3,4)5/h10H,1,6-8H2,2-5H3
InChIKeyUXEMSWHWAGMUDG-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.96
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

1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate
CID 172763853
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate
CID 18967904
tert-butyl (2S)-2-acetyl-4-methylidenepyrrolidine-1-carboxylate;ethane
CID 144773533
tert-butyl (2S)-2-(dihydroxymethyl)-4-methylidenepyrrolidine-1-carboxylate
CID 146518510
tert-butyl 2-carbamoyl-4-methylidenepyrrolidine-1-carboxylate
CID 66629943
(2S)-4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
CID 42553065
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
tert-butyl (2S,5S)-5-bromo-2-methylpiperidine-1-carboxylate
CID 178196758
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
tert-butyl 2-methyl-2,3,4,7-tetrahydroazepine-1-carboxylate
CID 118638593
tert-butyl 4-methyl-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 118638107

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate (CID 152995833) is tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate is C=C1CCC(C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate?
The InChIKey is UXEMSWHWAGMUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-6-7-10(2)13(8-9)11(14)15-12(3,4)5/h10H,1,6-8H2,2-5H3.
What are the key properties of tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate?
tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate is sourced from PubChem (CID 152995833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).