ditert-butyl piperidine-1,4-dicarboxylate

C15H27NO4 — CID 15337451

IUPACditert-butyl piperidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)19-12(17)11-7-9-16(10-8-11)13(18)20-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyNMPQIWVAVGEMRG-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.98
Rot. Bonds1

About ditert-butyl piperidine-1,4-dicarboxylate

ditert-butyl piperidine-1,4-dicarboxylate (PubChem CID 15337451) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ditert-butyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl piperidine-1,4-dicarboxylate
PubChem CID15337451
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameditert-butyl piperidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)19-12(17)11-7-9-16(10-8-11)13(18)20-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyNMPQIWVAVGEMRG-UHFFFAOYSA-N
XLogP2.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl piperidine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl piperidine-1,4-dicarboxylate (CID 15337451) is ditert-butyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl piperidine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl piperidine-1,4-dicarboxylate is CC(C)(C)OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of ditert-butyl piperidine-1,4-dicarboxylate?
The InChIKey is NMPQIWVAVGEMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,3)19-12(17)11-7-9-16(10-8-11)13(18)20-15(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of ditert-butyl piperidine-1,4-dicarboxylate?
ditert-butyl piperidine-1,4-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 15337451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).