2,3-di(hexylidene)piperidin-4-one

C17H29NO — CID 175319467

IUPAC2,3-di(hexylidene)piperidin-4-one
SMILESCCCCCC=C1NCCC(=O)C1=CCCCCC
InChIInChI=1S/C17H29NO/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18-14-13-17(15)19/h11-12,18H,3-10,13-14H2,1-2H3
InChIKeyRSSQLMBYKBNABB-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.52
Rot. Bonds8

About 2,3-di(hexylidene)piperidin-4-one

2,3-di(hexylidene)piperidin-4-one (PubChem CID 175319467) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,3-di(hexylidene)piperidin-4-one.

Molecular Properties

Compound Name2,3-di(hexylidene)piperidin-4-one
PubChem CID175319467
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,3-di(hexylidene)piperidin-4-one
SMILESCCCCCC=C1NCCC(=O)C1=CCCCCC
InChIInChI=1S/C17H29NO/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18-14-13-17(15)19/h11-12,18H,3-10,13-14H2,1-2H3
InChIKeyRSSQLMBYKBNABB-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(hexylidene)piperidin-4-one?
The IUPAC name of 2,3-di(hexylidene)piperidin-4-one (CID 175319467) is 2,3-di(hexylidene)piperidin-4-one.
What is the SMILES notation for 2,3-di(hexylidene)piperidin-4-one?
The canonical SMILES for 2,3-di(hexylidene)piperidin-4-one is CCCCCC=C1NCCC(=O)C1=CCCCCC.
What is the InChIKey of 2,3-di(hexylidene)piperidin-4-one?
The InChIKey is RSSQLMBYKBNABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18-14-13-17(15)19/h11-12,18H,3-10,13-14H2,1-2H3.
What are the key properties of 2,3-di(hexylidene)piperidin-4-one?
2,3-di(hexylidene)piperidin-4-one has a molecular weight of 263.42 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(hexylidene)piperidin-4-one is sourced from PubChem (CID 175319467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).