4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde

C17H24N2O3 — CID 154645973

IUPAC4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde
SMILESCCN1CCN(C(=O)C(C)(C)Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-18-9-11-19(12-10-18)16(21)17(2,3)22-15-7-5-14(13-20)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyQHSZEGCPMVHDLM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.82
Rot. Bonds5

About 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde

4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde (PubChem CID 154645973) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde.

Molecular Properties

Compound Name4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde
PubChem CID154645973
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde
SMILESCCN1CCN(C(=O)C(C)(C)Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-18-9-11-19(12-10-18)16(21)17(2,3)22-15-7-5-14(13-20)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyQHSZEGCPMVHDLM-UHFFFAOYSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
CID 110346381
N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide
CID 86911809
2-(4-chlorophenoxy)-2-methyl-1-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 44582736
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
2-(4-chlorophenoxy)-2-methyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561086
2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
2-(4-chlorophenoxy)-2-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 23968913
1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 113197344
2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 38574818
N-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960941
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde?
The IUPAC name of 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde (CID 154645973) is 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde.
What is the SMILES notation for 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde?
The canonical SMILES for 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde is CCN1CCN(C(=O)C(C)(C)Oc2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde?
The InChIKey is QHSZEGCPMVHDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-18-9-11-19(12-10-18)16(21)17(2,3)22-15-7-5-14(13-20)6-8-15/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde?
4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde has a molecular weight of 304.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde is sourced from PubChem (CID 154645973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).