4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde

C17H17FN2O — CID 28603665

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H17FN2O/c18-15-3-7-17(8-4-15)20-11-9-19(10-12-20)16-5-1-14(13-21)2-6-16/h1-8,13H,9-12H2
InChIKeyCAVOZKQLNJFSNL-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.96
Rot. Bonds3

About 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde

4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde (PubChem CID 28603665) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
PubChem CID28603665
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H17FN2O/c18-15-3-7-17(8-4-15)20-11-9-19(10-12-20)16-5-1-14(13-21)2-6-16/h1-8,13H,9-12H2
InChIKeyCAVOZKQLNJFSNL-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde
CID 19784373
4-(4-oxopiperidin-1-yl)benzaldehyde
CID 12717443
3-fluoro-5-(4-phenylpiperazin-1-yl)benzaldehyde
CID 106529031
4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]benzaldehyde
CID 53426536
4-(4-fluoroazepan-1-yl)benzaldehyde
CID 115032624
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzaldehyde
CID 87406619
4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
CID 82275259
4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde
CID 155579240
4-[4-(3-chloropropyl)piperazin-1-yl]benzaldehyde
CID 86084616
ethane-1,2-diol;4-fluorobenzaldehyde
CID 175223595
1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
CID 122476442

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde (CID 28603665) is 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde is O=Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde?
The InChIKey is CAVOZKQLNJFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-3-7-17(8-4-15)20-11-9-19(10-12-20)16-5-1-14(13-21)2-6-16/h1-8,13H,9-12H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde?
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde has a molecular weight of 284.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde is sourced from PubChem (CID 28603665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).