bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate

C24H42N2O4 — CID 155076100

IUPACbis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate
SMILESCC(C)(OC(=O)C1CCCCC1C(=O)OC(C)(C)C1CCNCC1)C1CCNCC1
InChIInChI=1S/C24H42N2O4/c1-23(2,17-9-13-25-14-10-17)29-21(27)19-7-5-6-8-20(19)22(28)30-24(3,4)18-11-15-26-16-12-18/h17-20,25-26H,5-16H2,1-4H3
InChIKeyJDJGHEMFNZZEJR-UHFFFAOYSA-N
MW422.61 g/mol
LogP3.44
Rot. Bonds6

About bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate

bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate (PubChem CID 155076100) has the molecular formula C24H42N2O4 and a molecular weight of 422.61 g/mol. Its IUPAC name is bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate
PubChem CID155076100
Molecular FormulaC24H42N2O4
Molecular Weight422.61 g/mol
Exact Mass422.31
IUPAC Namebis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate
SMILESCC(C)(OC(=O)C1CCCCC1C(=O)OC(C)(C)C1CCNCC1)C1CCNCC1
InChIInChI=1S/C24H42N2O4/c1-23(2,17-9-13-25-14-10-17)29-21(27)19-7-5-6-8-20(19)22(28)30-24(3,4)18-11-15-26-16-12-18/h17-20,25-26H,5-16H2,1-4H3
InChIKeyJDJGHEMFNZZEJR-UHFFFAOYSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate?
The IUPAC name of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate (CID 155076100) is bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate?
The canonical SMILES for bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate is CC(C)(OC(=O)C1CCCCC1C(=O)OC(C)(C)C1CCNCC1)C1CCNCC1.
What is the InChIKey of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate?
The InChIKey is JDJGHEMFNZZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O4/c1-23(2,17-9-13-25-14-10-17)29-21(27)19-7-5-6-8-20(19)22(28)30-24(3,4)18-11-15-26-16-12-18/h17-20,25-26H,5-16H2,1-4H3.
What are the key properties of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate?
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate has a molecular weight of 422.61 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 155076100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).