1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one

C28H53NO2 — CID 70531501

IUPAC1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCCC=CCCCCCCCC(=O)N1C(C)(C)CC(OC)CC1(C)C
InChIInChI=1S/C28H53NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(30)29-27(2,3)23-25(31-6)24-28(29,4)5/h14-15,25H,7-13,16-24H2,1-6H3
InChIKeyWZWIZXPPEFWIJJ-UHFFFAOYSA-N
MW435.74 g/mol
LogP8.22
Rot. Bonds16

About 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one

1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one (PubChem CID 70531501) has the molecular formula C28H53NO2 and a molecular weight of 435.74 g/mol. Its IUPAC name is 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one
PubChem CID70531501
Molecular FormulaC28H53NO2
Molecular Weight435.74 g/mol
Exact Mass435.41
IUPAC Name1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCCC=CCCCCCCCC(=O)N1C(C)(C)CC(OC)CC1(C)C
InChIInChI=1S/C28H53NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(30)29-27(2,3)23-25(31-6)24-28(29,4)5/h14-15,25H,7-13,16-24H2,1-6H3
InChIKeyWZWIZXPPEFWIJJ-UHFFFAOYSA-N
XLogP8.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis[(2,2,6,6-tetramethyl-1-octadec-9-enoylpiperidin-4-yl)sulfanyl]propanoic acid
CID 173429470
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
methyl (Z)-octadec-9-enoate;phosphane
CID 175307960
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one?
The IUPAC name of 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one (CID 70531501) is 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one.
What is the SMILES notation for 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one?
The canonical SMILES for 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one is CCCCCCCCC=CCCCCCCCC(=O)N1C(C)(C)CC(OC)CC1(C)C.
What is the InChIKey of 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one?
The InChIKey is WZWIZXPPEFWIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(30)29-27(2,3)23-25(31-6)24-28(29,4)5/h14-15,25H,7-13,16-24H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one?
1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one has a molecular weight of 435.74 g/mol, XLogP of 8.22, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)octadec-9-en-1-one is sourced from PubChem (CID 70531501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).