4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde

C19H23N3O — CID 87257695

IUPAC4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde
SMILESCN(C)c1cccc(N2CCN(c3ccc(C=O)cc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-20(2)18-4-3-5-19(14-18)22-12-10-21(11-13-22)17-8-6-16(15-23)7-9-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeySGVXITHEISACDQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.89
Rot. Bonds4

About 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde

4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde (PubChem CID 87257695) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde
PubChem CID87257695
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde
SMILESCN(C)c1cccc(N2CCN(c3ccc(C=O)cc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-20(2)18-4-3-5-19(14-18)22-12-10-21(11-13-22)17-8-6-16(15-23)7-9-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeySGVXITHEISACDQ-UHFFFAOYSA-N
XLogP2.89
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde?
The IUPAC name of 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde (CID 87257695) is 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde?
The canonical SMILES for 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde is CN(C)c1cccc(N2CCN(c3ccc(C=O)cc3)CC2)c1.
What is the InChIKey of 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde?
The InChIKey is SGVXITHEISACDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-20(2)18-4-3-5-19(14-18)22-12-10-21(11-13-22)17-8-6-16(15-23)7-9-17/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde?
4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde has a molecular weight of 309.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde is sourced from PubChem (CID 87257695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).