3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal

C16H24N2O2 — CID 62275976

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
SMILESCC(C=O)(CN1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(14-20,15-5-3-2-4-6-15)13-18-9-7-17(8-10-18)11-12-19/h2-6,14,19H,7-13H2,1H3
InChIKeyUAVCXTYNDIXDBR-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.75
Rot. Bonds6

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal

3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal (PubChem CID 62275976) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
PubChem CID62275976
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
SMILESCC(C=O)(CN1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(14-20,15-5-3-2-4-6-15)13-18-9-7-17(8-10-18)11-12-19/h2-6,14,19H,7-13H2,1H3
InChIKeyUAVCXTYNDIXDBR-UHFFFAOYSA-N
XLogP0.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
CID 62278646
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63194001
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
CID 102936299
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanal
CID 103538767
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
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 62277790
1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110931592
2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
CID 123455408
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal (CID 62275976) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal is CC(C=O)(CN1CCN(CCO)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal?
The InChIKey is UAVCXTYNDIXDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(14-20,15-5-3-2-4-6-15)13-18-9-7-17(8-10-18)11-12-19/h2-6,14,19H,7-13H2,1H3.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal has a molecular weight of 276.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62275976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).