2-piperidin-4-ylpropan-2-yl decanoate

C18H35NO2 — CID 155075512

IUPAC2-piperidin-4-ylpropan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-10-11-17(20)21-18(2,3)16-12-14-19-15-13-16/h16,19H,4-15H2,1-3H3
InChIKeyRLBPMMVNFRBVGY-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.45
Rot. Bonds10

About 2-piperidin-4-ylpropan-2-yl decanoate

2-piperidin-4-ylpropan-2-yl decanoate (PubChem CID 155075512) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl decanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl decanoate
PubChem CID155075512
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-piperidin-4-ylpropan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-10-11-17(20)21-18(2,3)16-12-14-19-15-13-16/h16,19H,4-15H2,1-3H3
InChIKeyRLBPMMVNFRBVGY-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.45
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 decanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl decanoate (CID 155075512) is 2-piperidin-4-ylpropan-2-yl decanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl decanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl decanoate is CCCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl decanoate?
The InChIKey is RLBPMMVNFRBVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-6-7-8-9-10-11-17(20)21-18(2,3)16-12-14-19-15-13-16/h16,19H,4-15H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl decanoate?
2-piperidin-4-ylpropan-2-yl decanoate has a molecular weight of 297.48 g/mol, XLogP of 4.45, 10 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 decanoate is sourced from PubChem (CID 155075512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).