[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

C18H28N2O4 — CID 135107435

IUPAC[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCCOCCOc1cccc(C(=O)N2CCN(C)C(CCO)C2)c1
InChIInChI=1S/C18H28N2O4/c1-3-23-11-12-24-17-6-4-5-15(13-17)18(22)20-9-8-19(2)16(14-20)7-10-21/h4-6,13,16,21H,3,7-12,14H2,1-2H3
InChIKeyAORIMMHWTXTVNG-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.24
Rot. Bonds8

About [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 135107435) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
PubChem CID135107435
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCCOCCOc1cccc(C(=O)N2CCN(C)C(CCO)C2)c1
InChIInChI=1S/C18H28N2O4/c1-3-23-11-12-24-17-6-4-5-15(13-17)18(22)20-9-8-19(2)16(14-20)7-10-21/h4-6,13,16,21H,3,7-12,14H2,1-2H3
InChIKeyAORIMMHWTXTVNG-UHFFFAOYSA-N
XLogP1.24
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126428666
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
CID 118769094
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95860613
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[3-(2-ethoxyethoxy)phenyl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone;formic acid
CID 154918249
[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 56863583
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
[3-(hydroxymethyl)-5-methylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 126818930
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[6-(4-methylsulfanylphenyl)naphthalen-2-yl]methanone
CID 172655751
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (CID 135107435) is [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is CCOCCOc1cccc(C(=O)N2CCN(C)C(CCO)C2)c1.
What is the InChIKey of [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is AORIMMHWTXTVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-23-11-12-24-17-6-4-5-15(13-17)18(22)20-9-8-19(2)16(14-20)7-10-21/h4-6,13,16,21H,3,7-12,14H2,1-2H3.
What are the key properties of [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 336.43 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 135107435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).