4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde

C16H22N2O2 — CID 94283320

IUPAC4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
SMILESCc1cc(C)c(C(=O)CN2CCN(C=O)CC2)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-12-8-13(2)16(14(3)9-12)15(20)10-17-4-6-18(11-19)7-5-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyPXJAACFMEXRENP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.57
Rot. Bonds4

About 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde

4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde (PubChem CID 94283320) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
PubChem CID94283320
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
SMILESCc1cc(C)c(C(=O)CN2CCN(C=O)CC2)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-12-8-13(2)16(14(3)9-12)15(20)10-17-4-6-18(11-19)7-5-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyPXJAACFMEXRENP-UHFFFAOYSA-N
XLogP1.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde (CID 94283320) is 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde is Cc1cc(C)c(C(=O)CN2CCN(C=O)CC2)c(C)c1.
What is the InChIKey of 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde?
The InChIKey is PXJAACFMEXRENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-8-13(2)16(14(3)9-12)15(20)10-17-4-6-18(11-19)7-5-17/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde?
4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde has a molecular weight of 274.36 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 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 94283320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).