2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde

C20H24N2O3 — CID 137460118

IUPAC2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde
SMILESCOc1ccc(-c2ccc(N3CCN(CC=O)CC3)cc2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-24-19-8-5-17(15-20(19)25-2)16-3-6-18(7-4-16)22-11-9-21(10-12-22)13-14-23/h3-8,14-15H,9-13H2,1-2H3
InChIKeyOBEQTXVAFYGBLJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde

2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde (PubChem CID 137460118) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde
PubChem CID137460118
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde
SMILESCOc1ccc(-c2ccc(N3CCN(CC=O)CC3)cc2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-24-19-8-5-17(15-20(19)25-2)16-3-6-18(7-4-16)22-11-9-21(10-12-22)13-14-23/h3-8,14-15H,9-13H2,1-2H3
InChIKeyOBEQTXVAFYGBLJ-UHFFFAOYSA-N
XLogP2.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 137460082
2-[4-[4-amino-3-(2-methoxyethoxy)phenyl]piperazin-1-yl]acetaldehyde
CID 87513607
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760
(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 95104734
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 70424100
[4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl] 4-phenylbenzenesulfonate
CID 145113228
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3212837
[2-methoxy-4-[3-[4-(4-nitrophenyl)piperazin-1-yl]prop-1-enyl]phenyl] acetate
CID 3773528
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1443659
2-[4-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 154639938
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde (CID 137460118) is 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde is COc1ccc(-c2ccc(N3CCN(CC=O)CC3)cc2)cc1OC.
What is the InChIKey of 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde?
The InChIKey is OBEQTXVAFYGBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-8-5-17(15-20(19)25-2)16-3-6-18(7-4-16)22-11-9-21(10-12-22)13-14-23/h3-8,14-15H,9-13H2,1-2H3.
What are the key properties of 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde?
2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde has a molecular weight of 340.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 137460118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).