1-tridecylpiperidin-2-one

C18H35NO — CID 10265754

IUPAC1-tridecylpiperidin-2-one
SMILESCCCCCCCCCCCCCN1CCCCC1=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18(19)20/h2-17H2,1H3
InChIKeyJPTHOKWOAIQCKK-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.31
Rot. Bonds12

About 1-tridecylpiperidin-2-one

1-tridecylpiperidin-2-one (PubChem CID 10265754) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-tridecylpiperidin-2-one.

Molecular Properties

Compound Name1-tridecylpiperidin-2-one
PubChem CID10265754
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-tridecylpiperidin-2-one
SMILESCCCCCCCCCCCCCN1CCCCC1=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18(19)20/h2-17H2,1H3
InChIKeyJPTHOKWOAIQCKK-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-tridecylpiperidin-2-one?
The IUPAC name of 1-tridecylpiperidin-2-one (CID 10265754) is 1-tridecylpiperidin-2-one.
What is the SMILES notation for 1-tridecylpiperidin-2-one?
The canonical SMILES for 1-tridecylpiperidin-2-one is CCCCCCCCCCCCCN1CCCCC1=O.
What is the InChIKey of 1-tridecylpiperidin-2-one?
The InChIKey is JPTHOKWOAIQCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18(19)20/h2-17H2,1H3.
What are the key properties of 1-tridecylpiperidin-2-one?
1-tridecylpiperidin-2-one has a molecular weight of 281.48 g/mol, XLogP of 5.31, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecylpiperidin-2-one is sourced from PubChem (CID 10265754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).