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

C19H31NO — CID 11173777

IUPAC(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
SMILESCCCCC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h6-7,10-11,13,16H,2-5,8-9,12,14-15,17-18H2,1H3/b7-6-,11-10+,16-13+
InChIKeyDHGGORSOUREXQR-INAOPUJYSA-N
MW289.46 g/mol
LogP5.03
Rot. Bonds9

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

(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one (PubChem CID 11173777) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one.

Molecular Properties

Compound Name(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
PubChem CID11173777
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
SMILESCCCCC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h6-7,10-11,13,16H,2-5,8-9,12,14-15,17-18H2,1H3/b7-6-,11-10+,16-13+
InChIKeyDHGGORSOUREXQR-INAOPUJYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.03
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-yltetradeca-2,4,8-trien-1-one?
The IUPAC name of (2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one (CID 11173777) is (2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one.
What is the SMILES notation for (2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one?
The canonical SMILES for (2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one is CCCCC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one?
The InChIKey is DHGGORSOUREXQR-INAOPUJYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h6-7,10-11,13,16H,2-5,8-9,12,14-15,17-18H2,1H3/b7-6-,11-10+,16-13+.
What are the key properties of (2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one?
(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one has a molecular weight of 289.46 g/mol, XLogP of 5.03, 9 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-yltetradeca-2,4,8-trien-1-one is sourced from PubChem (CID 11173777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).