1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one

C21H41NO2 — CID 18789400

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCCCC1CCO
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21(24)22-18-14-13-15-20(22)17-19-23/h20,23H,2-19H2,1H3
InChIKeyUEZWBOILEDZHNN-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.45
Rot. Bonds14

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one

1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one (PubChem CID 18789400) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one
PubChem CID18789400
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCCCC1CCO
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21(24)22-18-14-13-15-20(22)17-19-23/h20,23H,2-19H2,1H3
InChIKeyUEZWBOILEDZHNN-UHFFFAOYSA-N
XLogP5.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one (CID 18789400) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one is CCCCCCCCCCCCCC(=O)N1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one?
The InChIKey is UEZWBOILEDZHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21(24)22-18-14-13-15-20(22)17-19-23/h20,23H,2-19H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one?
1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one has a molecular weight of 339.56 g/mol, XLogP of 5.45, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]tetradecan-1-one is sourced from PubChem (CID 18789400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).