4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde

C28H26N2O — CID 87257712

IUPAC4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(Cc3ccccc3-c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C28H26N2O/c31-21-22-12-14-25(15-13-22)30-18-16-29(17-19-30)20-24-7-2-4-10-27(24)28-11-5-8-23-6-1-3-9-26(23)28/h1-15,21H,16-20H2
InChIKeyGSJWFOBEIGSQEE-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.64
Rot. Bonds5

About 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde

4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde (PubChem CID 87257712) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde
PubChem CID87257712
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(Cc3ccccc3-c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C28H26N2O/c31-21-22-12-14-25(15-13-22)30-18-16-29(17-19-30)20-24-7-2-4-10-27(24)28-11-5-8-23-6-1-3-9-26(23)28/h1-15,21H,16-20H2
InChIKeyGSJWFOBEIGSQEE-UHFFFAOYSA-N
XLogP5.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.64
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-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde
CID 175246482
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
CID 58646271
CID 58646271
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369313
1-(4-naphthalen-1-ylphenyl)pyrrolidine
CID 168512103
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
4-[4-(3-chloropropyl)piperazin-1-yl]benzaldehyde
CID 86084616
4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
CID 3784957
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde?
The IUPAC name of 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde (CID 87257712) is 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde?
The canonical SMILES for 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde is O=Cc1ccc(N2CCN(Cc3ccccc3-c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde?
The InChIKey is GSJWFOBEIGSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c31-21-22-12-14-25(15-13-22)30-18-16-29(17-19-30)20-24-7-2-4-10-27(24)28-11-5-8-23-6-1-3-9-26(23)28/h1-15,21H,16-20H2.
What are the key properties of 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde?
4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde has a molecular weight of 406.53 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-naphthalen-1-ylphenyl)methyl]piperazin-1-yl]benzaldehyde is sourced from PubChem (CID 87257712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).