1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone

C16H25N3O3 — CID 119873868

IUPAC1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C16H25N3O3/c1-22-10-5-17-12-16(21)19-8-6-18(7-9-19)13-14-3-2-4-15(20)11-14/h2-4,11,17,20H,5-10,12-13H2,1H3
InChIKeyIUVFHSNZGVHXEP-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.27
Rot. Bonds7

About 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone

1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 119873868) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID119873868
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C16H25N3O3/c1-22-10-5-17-12-16(21)19-8-6-18(7-9-19)13-14-3-2-4-15(20)11-14/h2-4,11,17,20H,5-10,12-13H2,1H3
InChIKeyIUVFHSNZGVHXEP-UHFFFAOYSA-N
XLogP0.27
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119878618
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 78871572
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
2-(2-methoxyethylamino)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119838229
2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 74230901
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone (CID 119873868) is 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is IUVFHSNZGVHXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-22-10-5-17-12-16(21)19-8-6-18(7-9-19)13-14-3-2-4-15(20)11-14/h2-4,11,17,20H,5-10,12-13H2,1H3.
What are the key properties of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 307.39 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119873868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).