(2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one

C19H33NO — CID 11130083

IUPAC(2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one
SMILESCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h10-11,13,16H,2-9,12,14-15,17-18H2,1H3/b11-10+,16-13+
InChIKeyARLNCELWGQDJPO-QDTXCPDVSA-N
MW291.48 g/mol
LogP5.25
Rot. Bonds10

About (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one

(2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one (PubChem CID 11130083) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one
PubChem CID11130083
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one
SMILESCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h10-11,13,16H,2-9,12,14-15,17-18H2,1H3/b11-10+,16-13+
InChIKeyARLNCELWGQDJPO-QDTXCPDVSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-1-piperidin-1-yltetradeca-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one (CID 11130083) is (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one is CCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one?
The InChIKey is ARLNCELWGQDJPO-QDTXCPDVSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h10-11,13,16H,2-9,12,14-15,17-18H2,1H3/b11-10+,16-13+.
What are the key properties of (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one?
(2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one has a molecular weight of 291.48 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-piperidin-1-yltetradeca-2,4-dien-1-one is sourced from PubChem (CID 11130083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).