tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate

C19H37NO2 — CID 156630485

IUPACtert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
SMILESCC1CC(C(C)(C)C)(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO2/c1-14-13-19(16(2,3)4,17(5,6)7)11-12-20(14)15(21)22-18(8,9)10/h14H,11-13H2,1-10H3
InChIKeyZFLKYCCHVKRHID-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.48
Rot. Bonds

About tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate

tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate (PubChem CID 156630485) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
PubChem CID156630485
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Nametert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
SMILESCC1CC(C(C)(C)C)(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO2/c1-14-13-19(16(2,3)4,17(5,6)7)11-12-20(14)15(21)22-18(8,9)10/h14H,11-13H2,1-10H3
InChIKeyZFLKYCCHVKRHID-UHFFFAOYSA-N
XLogP5.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 83851170
tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 23565394
tert-butyl (2S,4S)-4-hydroxy-2-methyl-4-(2-methylpropyl)piperidine-1-carboxylate
CID 129410392
tert-butyl (5R,7S)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 70169773
tert-butyl 1,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155894383
tert-butyl (5S,9S)-9-methyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 176830182
tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 172783683
tert-butyl 3,3-dichloro-6-methyl-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 168954589
tert-butyl (2S,4S)-4-hydroxy-4-(4-hydroxyphenyl)-2-methylpiperidine-1-carboxylate
CID 101245803
tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155892645
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl (2S,4R)-4-ethenyl-4-(ethenylsulfonylamino)-2-methylpiperidine-1-carboxylate
CID 86686860

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate (CID 156630485) is tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate is CC1CC(C(C)(C)C)(C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate?
The InChIKey is ZFLKYCCHVKRHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-14-13-19(16(2,3)4,17(5,6)7)11-12-20(14)15(21)22-18(8,9)10/h14H,11-13H2,1-10H3.
What are the key properties of tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate?
tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate has a molecular weight of 311.51 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 156630485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).