5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde

C14H20N2O2 — CID 117374187

IUPAC5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde
SMILESCOc1ccc(CCN2CCNCC2)c(C=O)c1
InChIInChI=1S/C14H20N2O2/c1-18-14-3-2-12(13(10-14)11-17)4-7-16-8-5-15-6-9-16/h2-3,10-11,15H,4-9H2,1H3
InChIKeyQZGKDKOLGPEMEB-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.96
Rot. Bonds5

About 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde

5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde (PubChem CID 117374187) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde
PubChem CID117374187
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde
SMILESCOc1ccc(CCN2CCNCC2)c(C=O)c1
InChIInChI=1S/C14H20N2O2/c1-18-14-3-2-12(13(10-14)11-17)4-7-16-8-5-15-6-9-16/h2-3,10-11,15H,4-9H2,1H3
InChIKeyQZGKDKOLGPEMEB-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(piperazin-1-ylmethyl)benzaldehyde
CID 117340822
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
2-butyl-5-methoxybenzaldehyde
CID 10631601
2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
2-(2-formyl-4-methoxyphenyl)acetonitrile
CID 55265214
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde?
The IUPAC name of 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde (CID 117374187) is 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde.
What is the SMILES notation for 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde?
The canonical SMILES for 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde is COc1ccc(CCN2CCNCC2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde?
The InChIKey is QZGKDKOLGPEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14-3-2-12(13(10-14)11-17)4-7-16-8-5-15-6-9-16/h2-3,10-11,15H,4-9H2,1H3.
What are the key properties of 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde?
5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde has a molecular weight of 248.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde is sourced from PubChem (CID 117374187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).