3-piperidin-1-ylhex-5-en-2-one

C11H19NO — CID 23264738

IUPAC3-piperidin-1-ylhex-5-en-2-one
SMILESC=CCC(C(C)=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-7-11(10(2)13)12-8-5-4-6-9-12/h3,11H,1,4-9H2,2H3
InChIKeyQDDZHWWNZUSVLW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds4

About 3-piperidin-1-ylhex-5-en-2-one

3-piperidin-1-ylhex-5-en-2-one (PubChem CID 23264738) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-piperidin-1-ylhex-5-en-2-one.

Molecular Properties

Compound Name3-piperidin-1-ylhex-5-en-2-one
PubChem CID23264738
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-piperidin-1-ylhex-5-en-2-one
SMILESC=CCC(C(C)=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-7-11(10(2)13)12-8-5-4-6-9-12/h3,11H,1,4-9H2,2H3
InChIKeyQDDZHWWNZUSVLW-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylhex-5-en-2-one?
The IUPAC name of 3-piperidin-1-ylhex-5-en-2-one (CID 23264738) is 3-piperidin-1-ylhex-5-en-2-one.
What is the SMILES notation for 3-piperidin-1-ylhex-5-en-2-one?
The canonical SMILES for 3-piperidin-1-ylhex-5-en-2-one is C=CCC(C(C)=O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylhex-5-en-2-one?
The InChIKey is QDDZHWWNZUSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-11(10(2)13)12-8-5-4-6-9-12/h3,11H,1,4-9H2,2H3.
What are the key properties of 3-piperidin-1-ylhex-5-en-2-one?
3-piperidin-1-ylhex-5-en-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylhex-5-en-2-one is sourced from PubChem (CID 23264738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).