1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one

C25H49NO2 — CID 21297912

IUPAC1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C25H49NO2/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)18-25(28)26-17-9-16-24(27)19-26/h20-24,27H,6-19H2,1-5H3
InChIKeyFBUSEUYLTFNKRV-UHFFFAOYSA-N
MW395.67 g/mol
LogP6.43
Rot. Bonds14

About 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one

1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one (PubChem CID 21297912) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one
PubChem CID21297912
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C25H49NO2/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)18-25(28)26-17-9-16-24(27)19-26/h20-24,27H,6-19H2,1-5H3
InChIKeyFBUSEUYLTFNKRV-UHFFFAOYSA-N
XLogP6.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one (CID 21297912) is 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one?
The InChIKey is FBUSEUYLTFNKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO2/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)18-25(28)26-17-9-16-24(27)19-26/h20-24,27H,6-19H2,1-5H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one?
1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one has a molecular weight of 395.67 g/mol, XLogP of 6.43, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one is sourced from PubChem (CID 21297912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).