tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate

C15H29NO2 — CID 122487124

IUPACtert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-13(2,3)15(7)8-10-16(11-9-15)12(17)18-14(4,5)6/h8-11H2,1-7H3
InChIKeyIMPIOCPVNJYREI-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.07
Rot. Bonds

About tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate

tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate (PubChem CID 122487124) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
PubChem CID122487124
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-13(2,3)15(7)8-10-16(11-9-15)12(17)18-14(4,5)6/h8-11H2,1-7H3
InChIKeyIMPIOCPVNJYREI-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 70795313
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 145480180

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate (CID 122487124) is tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
The InChIKey is IMPIOCPVNJYREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2,3)15(7)8-10-16(11-9-15)12(17)18-14(4,5)6/h8-11H2,1-7H3.
What are the key properties of tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 122487124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).