methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate

C12H21NO4 — CID 174789699

IUPACmethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)11(15)17-13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChIKeyNMUIIRTWWNMEHW-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.38
Rot. Bonds2

About methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate

methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate (PubChem CID 174789699) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
PubChem CID174789699
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)11(15)17-13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChIKeyNMUIIRTWWNMEHW-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate (CID 174789699) is methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate is COC(=O)C1CCN(OC(=O)C(C)(C)C)CC1.
What is the InChIKey of methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
The InChIKey is NMUIIRTWWNMEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)11(15)17-13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate is sourced from PubChem (CID 174789699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).