4-(4-benzylpiperazin-2-yl)benzaldehyde

C18H20N2O — CID 166460961

IUPAC4-(4-benzylpiperazin-2-yl)benzaldehyde
SMILESO=Cc1ccc(C2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C18H20N2O/c21-14-16-6-8-17(9-7-16)18-13-20(11-10-19-18)12-15-4-2-1-3-5-15/h1-9,14,18-19H,10-13H2
InChIKeyRETVRVVRUWQRIO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.65
Rot. Bonds4

About 4-(4-benzylpiperazin-2-yl)benzaldehyde

4-(4-benzylpiperazin-2-yl)benzaldehyde (PubChem CID 166460961) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-benzylpiperazin-2-yl)benzaldehyde
PubChem CID166460961
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(4-benzylpiperazin-2-yl)benzaldehyde
SMILESO=Cc1ccc(C2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C18H20N2O/c21-14-16-6-8-17(9-7-16)18-13-20(11-10-19-18)12-15-4-2-1-3-5-15/h1-9,14,18-19H,10-13H2
InChIKeyRETVRVVRUWQRIO-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
2-(4-benzylpiperazin-2-yl)aniline
CID 66697568
1-benzyl-3-(3-benzylimidazol-4-yl)piperazine
CID 134851631
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
3-phenyl-1-(pyridin-4-ylmethyl)-1,4-diazepane
CID 64857270
methyl 3-(4-benzylpiperazin-2-yl)benzoate
CID 162408491
1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
CID 166432752
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
1-bromo-4-(chloromethyl)benzene;1-[(4-bromophenyl)methyl]-3-phenylpiperazine;2-phenylpiperazine
CID 158567577
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-2-yl)benzaldehyde?
The IUPAC name of 4-(4-benzylpiperazin-2-yl)benzaldehyde (CID 166460961) is 4-(4-benzylpiperazin-2-yl)benzaldehyde.
What is the SMILES notation for 4-(4-benzylpiperazin-2-yl)benzaldehyde?
The canonical SMILES for 4-(4-benzylpiperazin-2-yl)benzaldehyde is O=Cc1ccc(C2CN(Cc3ccccc3)CCN2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-2-yl)benzaldehyde?
The InChIKey is RETVRVVRUWQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-14-16-6-8-17(9-7-16)18-13-20(11-10-19-18)12-15-4-2-1-3-5-15/h1-9,14,18-19H,10-13H2.
What are the key properties of 4-(4-benzylpiperazin-2-yl)benzaldehyde?
4-(4-benzylpiperazin-2-yl)benzaldehyde has a molecular weight of 280.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-2-yl)benzaldehyde is sourced from PubChem (CID 166460961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).