2-piperidin-4-ylpropan-2-yl dodecanoate

C20H39NO2 — CID 155075513

IUPAC2-piperidin-4-ylpropan-2-yl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-19(22)23-20(2,3)18-14-16-21-17-15-18/h18,21H,4-17H2,1-3H3
InChIKeyIIBMXZIBAVFZMH-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.23
Rot. Bonds12

About 2-piperidin-4-ylpropan-2-yl dodecanoate

2-piperidin-4-ylpropan-2-yl dodecanoate (PubChem CID 155075513) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl dodecanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl dodecanoate
PubChem CID155075513
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name2-piperidin-4-ylpropan-2-yl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-19(22)23-20(2,3)18-14-16-21-17-15-18/h18,21H,4-17H2,1-3H3
InChIKeyIIBMXZIBAVFZMH-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.23
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 dodecanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl dodecanoate (CID 155075513) is 2-piperidin-4-ylpropan-2-yl dodecanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl dodecanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl dodecanoate is CCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl dodecanoate?
The InChIKey is IIBMXZIBAVFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-19(22)23-20(2,3)18-14-16-21-17-15-18/h18,21H,4-17H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl dodecanoate?
2-piperidin-4-ylpropan-2-yl dodecanoate has a molecular weight of 325.54 g/mol, XLogP of 5.23, 12 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 dodecanoate is sourced from PubChem (CID 155075513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).