methyl 11-piperidin-1-ylundecanoate

C17H33NO2 — CID 3108052

IUPACmethyl 11-piperidin-1-ylundecanoate
SMILESCOC(=O)CCCCCCCCCCN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-20-17(19)13-9-6-4-2-3-5-7-10-14-18-15-11-8-12-16-18/h2-16H2,1H3
InChIKeyQYVKNHQJACYNTP-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.16
Rot. Bonds11

About methyl 11-piperidin-1-ylundecanoate

methyl 11-piperidin-1-ylundecanoate (PubChem CID 3108052) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is methyl 11-piperidin-1-ylundecanoate.

Molecular Properties

Compound Namemethyl 11-piperidin-1-ylundecanoate
PubChem CID3108052
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namemethyl 11-piperidin-1-ylundecanoate
SMILESCOC(=O)CCCCCCCCCCN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-20-17(19)13-9-6-4-2-3-5-7-10-14-18-15-11-8-12-16-18/h2-16H2,1H3
InChIKeyQYVKNHQJACYNTP-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of methyl 11-piperidin-1-ylundecanoate?
The IUPAC name of methyl 11-piperidin-1-ylundecanoate (CID 3108052) is methyl 11-piperidin-1-ylundecanoate.
What is the SMILES notation for methyl 11-piperidin-1-ylundecanoate?
The canonical SMILES for methyl 11-piperidin-1-ylundecanoate is COC(=O)CCCCCCCCCCN1CCCCC1.
What is the InChIKey of methyl 11-piperidin-1-ylundecanoate?
The InChIKey is QYVKNHQJACYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-20-17(19)13-9-6-4-2-3-5-7-10-14-18-15-11-8-12-16-18/h2-16H2,1H3.
What are the key properties of methyl 11-piperidin-1-ylundecanoate?
methyl 11-piperidin-1-ylundecanoate has a molecular weight of 283.46 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-piperidin-1-ylundecanoate is sourced from PubChem (CID 3108052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).