3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine

C16H33N — CID 122695029

IUPAC3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC(C)(C)C1CCCNC1C(C)(C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(2,3)12-10-9-11-17-13(12)16(7,8)15(4,5)6/h12-13,17H,9-11H2,1-8H3
InChIKeyVLMDOWFQRIYIBB-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds1

About 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine

3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine (PubChem CID 122695029) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine
PubChem CID122695029
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC(C)(C)C1CCCNC1C(C)(C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(2,3)12-10-9-11-17-13(12)16(7,8)15(4,5)6/h12-13,17H,9-11H2,1-8H3
InChIKeyVLMDOWFQRIYIBB-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-2-methylpiperidine
CID 91446438
2-tert-butylpyrrolidine;methane
CID 174978961
(2S,3S)-2-tert-butylpyrrolidin-3-ol
CID 96636706
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
(4aS,7aS)-6-(2-tert-butylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678760
(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide
CID 61155156
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
2-methylpyrrolidine
CID 142041388
2-methylpyrrolidine
CID 13003
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine?
The IUPAC name of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine (CID 122695029) is 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine.
What is the SMILES notation for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine?
The canonical SMILES for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine is CC(C)(C)C1CCCNC1C(C)(C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine?
The InChIKey is VLMDOWFQRIYIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-14(2,3)12-10-9-11-17-13(12)16(7,8)15(4,5)6/h12-13,17H,9-11H2,1-8H3.
What are the key properties of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine?
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine is sourced from PubChem (CID 122695029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).