3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal

C16H24N2O — CID 62278646

IUPAC3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
SMILESCCN1CCN(CC(C)(C=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-17-9-11-18(12-10-17)13-16(2,14-19)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyWQAOTXYRRVVQAX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.78
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal

3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal (PubChem CID 62278646) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
PubChem CID62278646
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
SMILESCCN1CCN(CC(C)(C=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-17-9-11-18(12-10-17)13-16(2,14-19)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyWQAOTXYRRVVQAX-UHFFFAOYSA-N
XLogP1.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
CID 62275976
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanal
CID 103538767
3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 62277790
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
CID 62277904
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 102966874
1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
CID 144727735
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
CID 102936299
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
2-methyl-2-phenylicosanal
CID 174730762

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal (CID 62278646) is 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal is CCN1CCN(CC(C)(C=O)c2ccccc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal?
The InChIKey is WQAOTXYRRVVQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-17-9-11-18(12-10-17)13-16(2,14-19)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal?
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal has a molecular weight of 260.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62278646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).