2-piperidin-4-ylpropan-2-yl nonanoate

C17H33NO2 — CID 155075507

IUPAC2-piperidin-4-ylpropan-2-yl nonanoate
SMILESCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C17H33NO2/c1-4-5-6-7-8-9-10-16(19)20-17(2,3)15-11-13-18-14-12-15/h15,18H,4-14H2,1-3H3
InChIKeyGPPGPABXMYXNDU-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.06
Rot. Bonds9

About 2-piperidin-4-ylpropan-2-yl nonanoate

2-piperidin-4-ylpropan-2-yl nonanoate (PubChem CID 155075507) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl nonanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl nonanoate
PubChem CID155075507
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-piperidin-4-ylpropan-2-yl nonanoate
SMILESCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C17H33NO2/c1-4-5-6-7-8-9-10-16(19)20-17(2,3)15-11-13-18-14-12-15/h15,18H,4-14H2,1-3H3
InChIKeyGPPGPABXMYXNDU-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.06
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 nonanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl nonanoate (CID 155075507) is 2-piperidin-4-ylpropan-2-yl nonanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl nonanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl nonanoate is CCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl nonanoate?
The InChIKey is GPPGPABXMYXNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-5-6-7-8-9-10-16(19)20-17(2,3)15-11-13-18-14-12-15/h15,18H,4-14H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl nonanoate?
2-piperidin-4-ylpropan-2-yl nonanoate has a molecular weight of 283.46 g/mol, XLogP of 4.06, 9 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 nonanoate is sourced from PubChem (CID 155075507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).