2-piperidin-4-ylpropan-2-yl tricosanoate

C31H61NO2 — CID 155075342

IUPAC2-piperidin-4-ylpropan-2-yl tricosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C31H61NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)34-31(2,3)29-25-27-32-28-26-29/h29,32H,4-28H2,1-3H3
InChIKeyPZWJSFJKISJJJB-UHFFFAOYSA-N
MW479.83 g/mol
LogP9.52
Rot. Bonds23

About 2-piperidin-4-ylpropan-2-yl tricosanoate

2-piperidin-4-ylpropan-2-yl tricosanoate (PubChem CID 155075342) has the molecular formula C31H61NO2 and a molecular weight of 479.83 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl tricosanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl tricosanoate
PubChem CID155075342
Molecular FormulaC31H61NO2
Molecular Weight479.83 g/mol
Exact Mass479.47
IUPAC Name2-piperidin-4-ylpropan-2-yl tricosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C31H61NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)34-31(2,3)29-25-27-32-28-26-29/h29,32H,4-28H2,1-3H3
InChIKeyPZWJSFJKISJJJB-UHFFFAOYSA-N
XLogP9.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.83
LogP ≤ 59.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl tricosanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl tricosanoate (CID 155075342) is 2-piperidin-4-ylpropan-2-yl tricosanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl tricosanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl tricosanoate is CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl tricosanoate?
The InChIKey is PZWJSFJKISJJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H61NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)34-31(2,3)29-25-27-32-28-26-29/h29,32H,4-28H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl tricosanoate?
2-piperidin-4-ylpropan-2-yl tricosanoate has a molecular weight of 479.83 g/mol, XLogP of 9.52, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl tricosanoate is sourced from PubChem (CID 155075342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).