1-piperidin-4-ylhexan-1-one

C11H21NO — CID 20735216

IUPAC1-piperidin-4-ylhexan-1-one
SMILESCCCCCC(=O)C1CCNCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-11(13)10-6-8-12-9-7-10/h10,12H,2-9H2,1H3
InChIKeyFOCONFIZIBPDKD-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.14
Rot. Bonds5

About 1-piperidin-4-ylhexan-1-one

1-piperidin-4-ylhexan-1-one (PubChem CID 20735216) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-piperidin-4-ylhexan-1-one.

Molecular Properties

Compound Name1-piperidin-4-ylhexan-1-one
PubChem CID20735216
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-piperidin-4-ylhexan-1-one
SMILESCCCCCC(=O)C1CCNCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-11(13)10-6-8-12-9-7-10/h10,12H,2-9H2,1H3
InChIKeyFOCONFIZIBPDKD-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-piperidin-4-ylhexan-1-one?
The IUPAC name of 1-piperidin-4-ylhexan-1-one (CID 20735216) is 1-piperidin-4-ylhexan-1-one.
What is the SMILES notation for 1-piperidin-4-ylhexan-1-one?
The canonical SMILES for 1-piperidin-4-ylhexan-1-one is CCCCCC(=O)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylhexan-1-one?
The InChIKey is FOCONFIZIBPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-11(13)10-6-8-12-9-7-10/h10,12H,2-9H2,1H3.
What are the key properties of 1-piperidin-4-ylhexan-1-one?
1-piperidin-4-ylhexan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylhexan-1-one is sourced from PubChem (CID 20735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).