Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one

Name: Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₁NO — CID 142088727

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one

SMILESC=C/C=C\C(=C)N1CCC(=O)CC1.CC

InChIInChI=1S/C11H15NO.C2H6/c1-3-4-5-10(2)12-8-6-11(13)7-9-12;1-2/h3-5H,1-2,6-9H2;1-2H3/b5-4-;

InChIKeyFODOWVYBKYUNNN-MKWAYWHRSA-N

MW207.32 g/mol

LogP2.93

Rot. Bonds3

About Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one

Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one (PubChem CID 142088727) has the molecular formula C₁₃H₂₁NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one.

Molecular Properties

Compound Name	Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
PubChem CID	142088727
Molecular Formula	C₁₃H₂₁NO
Molecular Weight	207.32 g/mol
Exact Mass	207.16
IUPAC Name	ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
SMILES	C=C/C=C\C(=C)N1CCC(=O)CC1.CC
InChI	InChI=1S/C11H15NO.C2H6/c1-3-4-5-10(2)12-8-6-11(13)7-9-12;1-2/h3-5H,1-2,6-9H2;1-2H3/b5-4-;
InChIKey	FODOWVYBKYUNNN-MKWAYWHRSA-N
XLogP	2.93
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.32
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?

The IUPAC name of Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one (CID 142088727) is ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one.

What is the SMILES notation for Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?

The canonical SMILES for Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one is C=C/C=C\C(=C)N1CCC(=O)CC1.CC.

What is the InChIKey of Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?

The InChIKey is FODOWVYBKYUNNN-MKWAYWHRSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-3-4-5-10(2)12-8-6-11(13)7-9-12;1-2/h3-5H,1-2,6-9H2;1-2H3/b5-4-;.

What are the key properties of Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?

Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one has a molecular weight of 207.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one is sourced from PubChem (CID 142088727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142088727 — identifiers, structure, computed properties (public domain)

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