(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one

C15H23NO — CID 14427414

IUPAC(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one
SMILESC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-3,6-7,9,12H,4-5,8,10-11,13-14H2,1H3/b3-2-,7-6+,12-9+
InChIKeyKCDOVRRODRAKCG-AMJQMGDOSA-N
MW233.35 g/mol
LogP3.47
Rot. Bonds5

About (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one

(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one (PubChem CID 14427414) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one.

Molecular Properties

Compound Name(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one
PubChem CID14427414
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one
SMILESC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-3,6-7,9,12H,4-5,8,10-11,13-14H2,1H3/b3-2-,7-6+,12-9+
InChIKeyKCDOVRRODRAKCG-AMJQMGDOSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one?
The IUPAC name of (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one (CID 14427414) is (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one.
What is the SMILES notation for (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one?
The canonical SMILES for (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one is C/C=C\CC/C=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one?
The InChIKey is KCDOVRRODRAKCG-AMJQMGDOSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-3,6-7,9,12H,4-5,8,10-11,13-14H2,1H3/b3-2-,7-6+,12-9+.
What are the key properties of (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one?
(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one is sourced from PubChem (CID 14427414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).