1-hexylpiperidin-4-one

C11H21NO — CID 10012600

IUPAC1-hexylpiperidin-4-one
SMILESCCCCCCN1CCC(=O)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-8-12-9-6-11(13)7-10-12/h2-10H2,1H3
InChIKeyNUPCXPOFGHXLIZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.23
Rot. Bonds5

About 1-hexylpiperidin-4-one

1-hexylpiperidin-4-one (PubChem CID 10012600) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-hexylpiperidin-4-one.

Molecular Properties

Compound Name1-hexylpiperidin-4-one
PubChem CID10012600
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-hexylpiperidin-4-one
SMILESCCCCCCN1CCC(=O)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-8-12-9-6-11(13)7-10-12/h2-10H2,1H3
InChIKeyNUPCXPOFGHXLIZ-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hexylpiperidin-4-one?
The IUPAC name of 1-hexylpiperidin-4-one (CID 10012600) is 1-hexylpiperidin-4-one.
What is the SMILES notation for 1-hexylpiperidin-4-one?
The canonical SMILES for 1-hexylpiperidin-4-one is CCCCCCN1CCC(=O)CC1.
What is the InChIKey of 1-hexylpiperidin-4-one?
The InChIKey is NUPCXPOFGHXLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-8-12-9-6-11(13)7-10-12/h2-10H2,1H3.
What are the key properties of 1-hexylpiperidin-4-one?
1-hexylpiperidin-4-one has a molecular weight of 183.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpiperidin-4-one is sourced from PubChem (CID 10012600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).