2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde

C14H20N2O — CID 178102156

IUPAC2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde
SMILESCCc1ccc(N2CCN(CC=O)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-2-13-3-5-14(6-4-13)16-9-7-15(8-10-16)11-12-17/h3-6,12H,2,7-11H2,1H3
InChIKeyGAKFIERLAYXSGQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds4

About 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde

2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde (PubChem CID 178102156) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde
PubChem CID178102156
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde
SMILESCCc1ccc(N2CCN(CC=O)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-2-13-3-5-14(6-4-13)16-9-7-15(8-10-16)11-12-17/h3-6,12H,2,7-11H2,1H3
InChIKeyGAKFIERLAYXSGQ-UHFFFAOYSA-N
XLogP1.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde (CID 178102156) is 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde is CCc1ccc(N2CCN(CC=O)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde?
The InChIKey is GAKFIERLAYXSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-13-3-5-14(6-4-13)16-9-7-15(8-10-16)11-12-17/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde?
2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde has a molecular weight of 232.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 178102156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).