(6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one

C26H45NO2 — CID 21297994

IUPAC(6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)CC(=O)N1CCCCC1CO
InChIInChI=1S/C26H45NO2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-26(29)27-18-7-6-17-25(27)20-28/h11,13,15,24-25,28H,6-10,12,14,16-20H2,1-5H3/b22-13+,23-15+
InChIKeyPFSYDBRHDWWFJY-JWIKZEKMSA-N
MW403.65 g/mol
LogP6.59
Rot. Bonds12

About (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one

(6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one (PubChem CID 21297994) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one.

Molecular Properties

Compound Name(6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
PubChem CID21297994
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name(6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)CC(=O)N1CCCCC1CO
InChIInChI=1S/C26H45NO2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-26(29)27-18-7-6-17-25(27)20-28/h11,13,15,24-25,28H,6-10,12,14,16-20H2,1-5H3/b22-13+,23-15+
InChIKeyPFSYDBRHDWWFJY-JWIKZEKMSA-N
XLogP6.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 56.59
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 (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one?
The IUPAC name of (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one (CID 21297994) is (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one.
What is the SMILES notation for (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one?
The canonical SMILES for (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)CC(=O)N1CCCCC1CO.
What is the InChIKey of (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one?
The InChIKey is PFSYDBRHDWWFJY-JWIKZEKMSA-N. The full InChI is InChI=1S/C26H45NO2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-26(29)27-18-7-6-17-25(27)20-28/h11,13,15,24-25,28H,6-10,12,14,16-20H2,1-5H3/b22-13+,23-15+.
What are the key properties of (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one?
(6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one has a molecular weight of 403.65 g/mol, XLogP of 6.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one is sourced from PubChem (CID 21297994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).