11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one

C17H33NO2 — CID 42608373

IUPAC11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one
SMILESCCC(=O)CCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1
InChIInChI=1S/C17H33NO2/c1-3-16(19)11-9-7-5-4-6-8-10-15-12-13-17(20)14(2)18-15/h14-15,17-18,20H,3-13H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyFNYMOMSUWLCHBY-UXLLHSPISA-N
MW283.46 g/mol
LogP3.59
Rot. Bonds10

About 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one

11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one (PubChem CID 42608373) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one.

Molecular Properties

Compound Name11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one
PubChem CID42608373
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one
SMILESCCC(=O)CCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1
InChIInChI=1S/C17H33NO2/c1-3-16(19)11-9-7-5-4-6-8-10-15-12-13-17(20)14(2)18-15/h14-15,17-18,20H,3-13H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyFNYMOMSUWLCHBY-UXLLHSPISA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one?
The IUPAC name of 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one (CID 42608373) is 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one.
What is the SMILES notation for 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one?
The canonical SMILES for 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one is CCC(=O)CCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1.
What is the InChIKey of 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one?
The InChIKey is FNYMOMSUWLCHBY-UXLLHSPISA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-16(19)11-9-7-5-4-6-8-10-15-12-13-17(20)14(2)18-15/h14-15,17-18,20H,3-13H2,1-2H3/t14-,15+,17-/m0/s1.
What are the key properties of 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one?
11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one has a molecular weight of 283.46 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one is sourced from PubChem (CID 42608373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).