1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone

C15H23NO — CID 142842574

IUPAC1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone
SMILESC=C/C=C\C(=C/C)CN1CCC(C(C)=O)CC1
InChIInChI=1S/C15H23NO/c1-4-6-7-14(5-2)12-16-10-8-15(9-11-16)13(3)17/h4-7,15H,1,8-12H2,2-3H3/b7-6-,14-5+
InChIKeyBLEOYTNCCDTTML-WFRORPSUSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds5

About 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone

1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone (PubChem CID 142842574) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone
PubChem CID142842574
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone
SMILESC=C/C=C\C(=C/C)CN1CCC(C(C)=O)CC1
InChIInChI=1S/C15H23NO/c1-4-6-7-14(5-2)12-16-10-8-15(9-11-16)13(3)17/h4-7,15H,1,8-12H2,2-3H3/b7-6-,14-5+
InChIKeyBLEOYTNCCDTTML-WFRORPSUSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone (CID 142842574) is 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone is C=C/C=C\C(=C/C)CN1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone?
The InChIKey is BLEOYTNCCDTTML-WFRORPSUSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-7-14(5-2)12-16-10-8-15(9-11-16)13(3)17/h4-7,15H,1,8-12H2,2-3H3/b7-6-,14-5+.
What are the key properties of 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone?
1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone has a molecular weight of 233.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 142842574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).