2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate

C12H23NO3 — CID 170530123

IUPAC2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate
SMILESCC(C)OC(C)(C)OC(=O)N1CCCCC1
InChIInChI=1S/C12H23NO3/c1-10(2)15-12(3,4)16-11(14)13-8-6-5-7-9-13/h10H,5-9H2,1-4H3
InChIKeyXGGNJLMCHQAUDB-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.77
Rot. Bonds3

About 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate

2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate (PubChem CID 170530123) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate
PubChem CID170530123
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate
SMILESCC(C)OC(C)(C)OC(=O)N1CCCCC1
InChIInChI=1S/C12H23NO3/c1-10(2)15-12(3,4)16-11(14)13-8-6-5-7-9-13/h10H,5-9H2,1-4H3
InChIKeyXGGNJLMCHQAUDB-UHFFFAOYSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
(1-amino-1-fluoroethyl) piperidine-1-carboxylate
CID 156636522
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
CID 170530031
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 91068339
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 4-but-3-yn-2-yl-1,4-diazepane-1-carboxylate
CID 155973668
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
(1-cyano-1-hydroxyethyl) piperidine-1-carboxylate
CID 156636524

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate?
The IUPAC name of 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate (CID 170530123) is 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate?
The canonical SMILES for 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate is CC(C)OC(C)(C)OC(=O)N1CCCCC1.
What is the InChIKey of 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate?
The InChIKey is XGGNJLMCHQAUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)15-12(3,4)16-11(14)13-8-6-5-7-9-13/h10H,5-9H2,1-4H3.
What are the key properties of 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate?
2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 170530123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).