dipropan-2-yl piperidine-2,4-dicarboxylate

C13H23NO4 — CID 123294392

IUPACdipropan-2-yl piperidine-2,4-dicarboxylate
SMILESCC(C)OC(=O)C1CCNC(C(=O)OC(C)C)C1
InChIInChI=1S/C13H23NO4/c1-8(2)17-12(15)10-5-6-14-11(7-10)13(16)18-9(3)4/h8-11,14H,5-7H2,1-4H3
InChIKeyYZBRLEQLRJRTII-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.26
Rot. Bonds4

About dipropan-2-yl piperidine-2,4-dicarboxylate

dipropan-2-yl piperidine-2,4-dicarboxylate (PubChem CID 123294392) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is dipropan-2-yl piperidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl piperidine-2,4-dicarboxylate
PubChem CID123294392
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namedipropan-2-yl piperidine-2,4-dicarboxylate
SMILESCC(C)OC(=O)C1CCNC(C(=O)OC(C)C)C1
InChIInChI=1S/C13H23NO4/c1-8(2)17-12(15)10-5-6-14-11(7-10)13(16)18-9(3)4/h8-11,14H,5-7H2,1-4H3
InChIKeyYZBRLEQLRJRTII-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl piperidine-2,4-dicarboxylate?
The IUPAC name of dipropan-2-yl piperidine-2,4-dicarboxylate (CID 123294392) is dipropan-2-yl piperidine-2,4-dicarboxylate.
What is the SMILES notation for dipropan-2-yl piperidine-2,4-dicarboxylate?
The canonical SMILES for dipropan-2-yl piperidine-2,4-dicarboxylate is CC(C)OC(=O)C1CCNC(C(=O)OC(C)C)C1.
What is the InChIKey of dipropan-2-yl piperidine-2,4-dicarboxylate?
The InChIKey is YZBRLEQLRJRTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-8(2)17-12(15)10-5-6-14-11(7-10)13(16)18-9(3)4/h8-11,14H,5-7H2,1-4H3.
What are the key properties of dipropan-2-yl piperidine-2,4-dicarboxylate?
dipropan-2-yl piperidine-2,4-dicarboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl piperidine-2,4-dicarboxylate is sourced from PubChem (CID 123294392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).