3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde

C16H16FN3O — CID 106529038

IUPAC3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
SMILESO=Cc1cc(F)cc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H16FN3O/c17-14-9-13(12-21)10-15(11-14)19-5-7-20(8-6-19)16-3-1-2-4-18-16/h1-4,9-12H,5-8H2
InChIKeyNRPBVUIOXJHPNY-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.36
Rot. Bonds3

About 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde

3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde (PubChem CID 106529038) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
PubChem CID106529038
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
SMILESO=Cc1cc(F)cc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H16FN3O/c17-14-9-13(12-21)10-15(11-14)19-5-7-20(8-6-19)16-3-1-2-4-18-16/h1-4,9-12H,5-8H2
InChIKeyNRPBVUIOXJHPNY-UHFFFAOYSA-N
XLogP2.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-(4-phenylpiperazin-1-yl)benzaldehyde
CID 106529031
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80638888
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
CID 171622110
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 115980573
4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
CID 134499697
2-chloro-6-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 29053148
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-(3-fluorophenyl)-3-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110560369
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde?
The IUPAC name of 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde (CID 106529038) is 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde is O=Cc1cc(F)cc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde?
The InChIKey is NRPBVUIOXJHPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-9-13(12-21)10-15(11-14)19-5-7-20(8-6-19)16-3-1-2-4-18-16/h1-4,9-12H,5-8H2.
What are the key properties of 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde?
3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde has a molecular weight of 285.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde is sourced from PubChem (CID 106529038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).