1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone

C14H22N2O — CID 134334346

IUPAC1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone
SMILESC=C/C=C\C=C(\C)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C14H22N2O/c1-4-5-6-7-13(2)12-15-8-10-16(11-9-15)14(3)17/h4-7H,1,8-12H2,2-3H3/b6-5-,13-7-
InChIKeyWMZJOBMDVBLMAH-IGVOXHMPSA-N
MW234.34 g/mol
LogP1.84
Rot. Bonds4

About 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone

1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone (PubChem CID 134334346) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone
PubChem CID134334346
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone
SMILESC=C/C=C\C=C(\C)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C14H22N2O/c1-4-5-6-7-13(2)12-15-8-10-16(11-9-15)14(3)17/h4-7H,1,8-12H2,2-3H3/b6-5-,13-7-
InChIKeyWMZJOBMDVBLMAH-IGVOXHMPSA-N
XLogP1.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.84
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-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone (CID 134334346) is 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone is C=C/C=C\C=C(\C)CN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone?
The InChIKey is WMZJOBMDVBLMAH-IGVOXHMPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-7-13(2)12-15-8-10-16(11-9-15)14(3)17/h4-7H,1,8-12H2,2-3H3/b6-5-,13-7-.
What are the key properties of 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone?
1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2Z,4Z)-2-methylhepta-2,4,6-trienyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134334346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).