14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one

C21H41NO2 — CID 581787

IUPAC14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC1CCC(O)C(C)N1C
InChIInChI=1S/C21H41NO2/c1-18(23)14-12-10-8-6-4-5-7-9-11-13-15-20-16-17-21(24)19(2)22(20)3/h19-21,24H,4-17H2,1-3H3
InChIKeyINXUTHAGBWUURU-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.10
Rot. Bonds13

About 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one

14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one (PubChem CID 581787) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one.

Molecular Properties

Compound Name14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one
PubChem CID581787
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC1CCC(O)C(C)N1C
InChIInChI=1S/C21H41NO2/c1-18(23)14-12-10-8-6-4-5-7-9-11-13-15-20-16-17-21(24)19(2)22(20)3/h19-21,24H,4-17H2,1-3H3
InChIKeyINXUTHAGBWUURU-UHFFFAOYSA-N
XLogP5.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.10
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 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one?
The IUPAC name of 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one (CID 581787) is 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one.
What is the SMILES notation for 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one?
The canonical SMILES for 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one is CC(=O)CCCCCCCCCCCCC1CCC(O)C(C)N1C.
What is the InChIKey of 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one?
The InChIKey is INXUTHAGBWUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-18(23)14-12-10-8-6-4-5-7-9-11-13-15-20-16-17-21(24)19(2)22(20)3/h19-21,24H,4-17H2,1-3H3.
What are the key properties of 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one?
14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one has a molecular weight of 339.56 g/mol, XLogP of 5.10, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(5-hydroxy-1,6-dimethylpiperidin-2-yl)tetradecan-2-one is sourced from PubChem (CID 581787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).