2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde

C16H19FN4O — CID 87951618

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde
SMILESCc1ccn(C(C=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4O/c1-13-6-7-21(18-13)16(12-22)20-10-8-19(9-11-20)15-4-2-14(17)3-5-15/h2-7,12,16H,8-11H2,1H3
InChIKeyJCDRRASWEMSRAD-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.85
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde (PubChem CID 87951618) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde
PubChem CID87951618
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde
SMILESCc1ccn(C(C=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4O/c1-13-6-7-21(18-13)16(12-22)20-10-8-19(9-11-20)15-4-2-14(17)3-5-15/h2-7,12,16H,8-11H2,1H3
InChIKeyJCDRRASWEMSRAD-UHFFFAOYSA-N
XLogP1.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde
CID 87610196
2-[4-chloro-5-(4-fluorophenyl)-3-methylsulfanylpyrazol-1-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetaldehyde
CID 87951694
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetaldehyde
CID 87585980
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide
CID 176964763
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259
1-(4-fluorophenyl)-4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazine
CID 3210426
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde (CID 87951618) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde is Cc1ccn(C(C=O)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde?
The InChIKey is JCDRRASWEMSRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-13-6-7-21(18-13)16(12-22)20-10-8-19(9-11-20)15-4-2-14(17)3-5-15/h2-7,12,16H,8-11H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde has a molecular weight of 302.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde is sourced from PubChem (CID 87951618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).