[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate

C12H23NO2 — CID 134419210

IUPAC[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
SMILESC[C@@H](OC(=O)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(12(2,3)4)15-11(14)13-8-6-5-7-9-13/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyAZNGQMJTOPIQGK-SNVBAGLBSA-N
MW213.32 g/mol
LogP3.04
Rot. Bonds1

About [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate

[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate (PubChem CID 134419210) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
PubChem CID134419210
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
SMILESC[C@@H](OC(=O)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(12(2,3)4)15-11(14)13-8-6-5-7-9-13/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyAZNGQMJTOPIQGK-SNVBAGLBSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
CID 169006679
1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid
CID 151047348
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 91068339
[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
CID 175255491
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate
CID 170530123
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
ethyl azacycloundecane-1-carboxylate
CID 67670496
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
2,3,3-trimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 77436471

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate?
The IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate (CID 134419210) is [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate.
What is the SMILES notation for [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate?
The canonical SMILES for [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate is C[C@@H](OC(=O)N1CCCCC1)C(C)(C)C.
What is the InChIKey of [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate?
The InChIKey is AZNGQMJTOPIQGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(12(2,3)4)15-11(14)13-8-6-5-7-9-13/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate?
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate is sourced from PubChem (CID 134419210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).