11-(4-methoxypiperidin-1-yl)undecan-3-one

C17H33NO2 — CID 171786440

IUPAC11-(4-methoxypiperidin-1-yl)undecan-3-one
SMILESCCC(=O)CCCCCCCCN1CCC(OC)CC1
InChIInChI=1S/C17H33NO2/c1-3-16(19)10-8-6-4-5-7-9-13-18-14-11-17(20-2)12-15-18/h17H,3-15H2,1-2H3
InChIKeyPXXKOMCTJHLJON-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.81
Rot. Bonds11

About 11-(4-methoxypiperidin-1-yl)undecan-3-one

11-(4-methoxypiperidin-1-yl)undecan-3-one (PubChem CID 171786440) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 11-(4-methoxypiperidin-1-yl)undecan-3-one.

Molecular Properties

Compound Name11-(4-methoxypiperidin-1-yl)undecan-3-one
PubChem CID171786440
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name11-(4-methoxypiperidin-1-yl)undecan-3-one
SMILESCCC(=O)CCCCCCCCN1CCC(OC)CC1
InChIInChI=1S/C17H33NO2/c1-3-16(19)10-8-6-4-5-7-9-13-18-14-11-17(20-2)12-15-18/h17H,3-15H2,1-2H3
InChIKeyPXXKOMCTJHLJON-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Morpholin-4-ylpentadecan-4-one
CID 57646261
1-Morpholin-4-ylhexadecan-2-one
CID 67114306
16-Morpholin-4-ylhexadecan-2-one
CID 91600497
1-(4-Methoxypiperidin-1-yl)nonan-1-one
CID 134458632
4-Propylmorpholine;tridecan-2-one
CID 144560338
1-(4-Methoxypiperidin-1-yl)decan-1-one
CID 149512446
1-Morpholin-4-yldodecan-5-one
CID 158125646
1-Morpholin-4-yltetradecan-5-one
CID 158947505
1-Morpholin-4-ylheptadecan-5-one
CID 158947506
1-Morpholin-4-yldocosan-3-one
CID 165066947
Ethane;13-(4-methoxypiperidin-1-yl)-2,2-dimethyltridecan-3-one
CID 169228789
Ethane;8-[4-(3-methoxypropyl)piperazin-1-yl]octan-3-one
CID 169228843

Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxypiperidin-1-yl)undecan-3-one?
The IUPAC name of 11-(4-methoxypiperidin-1-yl)undecan-3-one (CID 171786440) is 11-(4-methoxypiperidin-1-yl)undecan-3-one.
What is the SMILES notation for 11-(4-methoxypiperidin-1-yl)undecan-3-one?
The canonical SMILES for 11-(4-methoxypiperidin-1-yl)undecan-3-one is CCC(=O)CCCCCCCCN1CCC(OC)CC1.
What is the InChIKey of 11-(4-methoxypiperidin-1-yl)undecan-3-one?
The InChIKey is PXXKOMCTJHLJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-16(19)10-8-6-4-5-7-9-13-18-14-11-17(20-2)12-15-18/h17H,3-15H2,1-2H3.
What are the key properties of 11-(4-methoxypiperidin-1-yl)undecan-3-one?
11-(4-methoxypiperidin-1-yl)undecan-3-one has a molecular weight of 283.46 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxypiperidin-1-yl)undecan-3-one is sourced from PubChem (CID 171786440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).