2-piperidin-4-ylpropan-2-yl dec-9-enoate

C18H33NO2 — CID 155075556

IUPAC2-piperidin-4-ylpropan-2-yl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-17(20)21-18(2,3)16-12-14-19-15-13-16/h4,16,19H,1,5-15H2,2-3H3
InChIKeyJGFNREGEASJYHC-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.22
Rot. Bonds10

About 2-piperidin-4-ylpropan-2-yl dec-9-enoate

2-piperidin-4-ylpropan-2-yl dec-9-enoate (PubChem CID 155075556) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl dec-9-enoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl dec-9-enoate
PubChem CID155075556
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-piperidin-4-ylpropan-2-yl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-17(20)21-18(2,3)16-12-14-19-15-13-16/h4,16,19H,1,5-15H2,2-3H3
InChIKeyJGFNREGEASJYHC-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl dec-9-enoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl dec-9-enoate (CID 155075556) is 2-piperidin-4-ylpropan-2-yl dec-9-enoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl dec-9-enoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl dec-9-enoate is C=CCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl dec-9-enoate?
The InChIKey is JGFNREGEASJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-17(20)21-18(2,3)16-12-14-19-15-13-16/h4,16,19H,1,5-15H2,2-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl dec-9-enoate?
2-piperidin-4-ylpropan-2-yl dec-9-enoate has a molecular weight of 295.47 g/mol, XLogP of 4.22, 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 dec-9-enoate is sourced from PubChem (CID 155075556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).