1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one

C25H43NO2 — CID 54213118

IUPAC1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C25H43NO2/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/h10,12,14,23-24,27H,6-9,11,13,15-19H2,1-5H3
InChIKeyPXHUPSXTVGZIFI-UHFFFAOYSA-N
MW389.62 g/mol
LogP6.20
Rot. Bonds11

About 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one

1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one (PubChem CID 54213118) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
PubChem CID54213118
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C25H43NO2/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/h10,12,14,23-24,27H,6-9,11,13,15-19H2,1-5H3
InChIKeyPXHUPSXTVGZIFI-UHFFFAOYSA-N
XLogP6.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one (CID 54213118) is 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-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-tetramethylhexadeca-6,10,14-trien-1-one?
The InChIKey is PXHUPSXTVGZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO2/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/h10,12,14,23-24,27H,6-9,11,13,15-19H2,1-5H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one?
1-(3-hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one has a molecular weight of 389.62 g/mol, XLogP of 6.20, 11 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-tetramethylhexadeca-6,10,14-trien-1-one is sourced from PubChem (CID 54213118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).