1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone

C13H21FN2O — CID 143017731

IUPAC1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone
SMILESC/C=C(/F)C/C=C\CN1CCN(C(C)=O)CC1
InChIInChI=1S/C13H21FN2O/c1-3-13(14)6-4-5-7-15-8-10-16(11-9-15)12(2)17/h3-5H,6-11H2,1-2H3/b5-4-,13-3+
InChIKeyUZWBADYSGMFQCQ-BNXXKACXSA-N
MW240.32 g/mol
LogP1.97
Rot. Bonds4

About 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone

1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone (PubChem CID 143017731) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone
PubChem CID143017731
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone
SMILESC/C=C(/F)C/C=C\CN1CCN(C(C)=O)CC1
InChIInChI=1S/C13H21FN2O/c1-3-13(14)6-4-5-7-15-8-10-16(11-9-15)12(2)17/h3-5H,6-11H2,1-2H3/b5-4-,13-3+
InChIKeyUZWBADYSGMFQCQ-BNXXKACXSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone (CID 143017731) is 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone is C/C=C(/F)C/C=C\CN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone?
The InChIKey is UZWBADYSGMFQCQ-BNXXKACXSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-13(14)6-4-5-7-15-8-10-16(11-9-15)12(2)17/h3-5H,6-11H2,1-2H3/b5-4-,13-3+.
What are the key properties of 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone?
1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone has a molecular weight of 240.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 143017731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).