4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde

C25H27N3O — CID 175246482

IUPAC4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde
SMILESNCc1ccccc1-c1ccccc1CN1CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C25H27N3O/c26-17-21-5-1-3-7-24(21)25-8-4-2-6-22(25)18-27-13-15-28(16-14-27)23-11-9-20(19-29)10-12-23/h1-12,19H,13-18,26H2
InChIKeyFAARANYWYCRXDT-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.95
Rot. Bonds6

About 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde

4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde (PubChem CID 175246482) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde
PubChem CID175246482
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde
SMILESNCc1ccccc1-c1ccccc1CN1CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C25H27N3O/c26-17-21-5-1-3-7-24(21)25-8-4-2-6-22(25)18-27-13-15-28(16-14-27)23-11-9-20(19-29)10-12-23/h1-12,19H,13-18,26H2
InChIKeyFAARANYWYCRXDT-UHFFFAOYSA-N
XLogP3.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde
CID 87257712
CID 58646271
CID 58646271
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
4-[4-(3-chloropropyl)piperazin-1-yl]benzaldehyde
CID 86084616
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
CID 130244404
2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 68584959
4-[4-[[2-(4-iodophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
CID 70305615
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
4-[[4,7,10-tris[(4-formylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]benzaldehyde
CID 154202644
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62424178

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde?
The IUPAC name of 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde (CID 175246482) is 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde?
The canonical SMILES for 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde is NCc1ccccc1-c1ccccc1CN1CCN(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde?
The InChIKey is FAARANYWYCRXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c26-17-21-5-1-3-7-24(21)25-8-4-2-6-22(25)18-27-13-15-28(16-14-27)23-11-9-20(19-29)10-12-23/h1-12,19H,13-18,26H2.
What are the key properties of 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde?
4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde has a molecular weight of 385.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde is sourced from PubChem (CID 175246482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).