4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde

C14H23FN2O2 — CID 143532137

IUPAC4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde
SMILESCC(C)OC/C=C\C(=C/CF)N1CCN(C=O)CC1
InChIInChI=1S/C14H23FN2O2/c1-13(2)19-11-3-4-14(5-6-15)17-9-7-16(12-18)8-10-17/h3-5,12-13H,6-11H2,1-2H3/b4-3-,14-5+
InChIKeyYCGKFPKUIFCUIP-WGAAECHPSA-N
MW270.35 g/mol
LogP1.60
Rot. Bonds7

About 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde

4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde (PubChem CID 143532137) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde
PubChem CID143532137
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde
SMILESCC(C)OC/C=C\C(=C/CF)N1CCN(C=O)CC1
InChIInChI=1S/C14H23FN2O2/c1-13(2)19-11-3-4-14(5-6-15)17-9-7-16(12-18)8-10-17/h3-5,12-13H,6-11H2,1-2H3/b4-3-,14-5+
InChIKeyYCGKFPKUIFCUIP-WGAAECHPSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde with MolForge

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Related Compounds

4-[(4R)-4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]piperazine-1-carbaldehyde
CID 143766856
1-[4-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123284533

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde (CID 143532137) is 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde is CC(C)OC/C=C\C(=C/CF)N1CCN(C=O)CC1.
What is the InChIKey of 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde?
The InChIKey is YCGKFPKUIFCUIP-WGAAECHPSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-13(2)19-11-3-4-14(5-6-15)17-9-7-16(12-18)8-10-17/h3-5,12-13H,6-11H2,1-2H3/b4-3-,14-5+.
What are the key properties of 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde?
4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde has a molecular weight of 270.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-1-fluoro-6-propan-2-yloxyhexa-2,4-dien-3-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 143532137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).