14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one

C20H39NO3 — CID 72829813

IUPAC14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC1CCC(O)C(CO)N1
InChIInChI=1S/C20H39NO3/c1-17(23)12-10-8-6-4-2-3-5-7-9-11-13-18-14-15-20(24)19(16-22)21-18/h18-22,24H,2-16H2,1H3
InChIKeyDIMNETMAIUHJFR-UHFFFAOYSA-N
MW341.54 g/mol
LogP3.73
Rot. Bonds14

About 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one

14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one (PubChem CID 72829813) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one.

Molecular Properties

Compound Name14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
PubChem CID72829813
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC1CCC(O)C(CO)N1
InChIInChI=1S/C20H39NO3/c1-17(23)12-10-8-6-4-2-3-5-7-9-11-13-18-14-15-20(24)19(16-22)21-18/h18-22,24H,2-16H2,1H3
InChIKeyDIMNETMAIUHJFR-UHFFFAOYSA-N
XLogP3.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
CID 11130276
(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol
CID 100961122
tert-butyl [(2R,3R)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] carbonate
CID 11669814
(Z)-14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]-2-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]tetradec-2-enal
CID 11226973
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 11165190
2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol
CID 162861029
2-(6-oxoheptyl)cyclopent-4-ene-1,3-dione
CID 146383811
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
10-(2-butylcyclopentyl)decan-2-one
CID 71171350

Frequently Asked Questions

What is the IUPAC name of 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one?
The IUPAC name of 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one (CID 72829813) is 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one.
What is the SMILES notation for 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one?
The canonical SMILES for 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one is CC(=O)CCCCCCCCCCCCC1CCC(O)C(CO)N1.
What is the InChIKey of 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one?
The InChIKey is DIMNETMAIUHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-17(23)12-10-8-6-4-2-3-5-7-9-11-13-18-14-15-20(24)19(16-22)21-18/h18-22,24H,2-16H2,1H3.
What are the key properties of 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one?
14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one has a molecular weight of 341.54 g/mol, XLogP of 3.73, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one is sourced from PubChem (CID 72829813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).