3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one

C13H18N2O3 — CID 2759326

IUPAC3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCOc1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c16-11-2-1-3-12(10-11)18-9-4-13(17)15-7-5-14-6-8-15/h1-3,10,14,16H,4-9H2
InChIKeyPJGCQJDYVCBISK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds4

About 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one

3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 2759326) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID2759326
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCOc1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c16-11-2-1-3-12(10-11)18-9-4-13(17)15-7-5-14-6-8-15/h1-3,10,14,16H,4-9H2
InChIKeyPJGCQJDYVCBISK-UHFFFAOYSA-N
XLogP0.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
CID 4741575
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
CID 4739871
3-(3-hydroxyphenoxy)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 4741215
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 4739811
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one (CID 2759326) is 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one is O=C(CCOc1cccc(O)c1)N1CCNCC1.
What is the InChIKey of 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is PJGCQJDYVCBISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-2-1-3-12(10-11)18-9-4-13(17)15-7-5-14-6-8-15/h1-3,10,14,16H,4-9H2.
What are the key properties of 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one?
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 250.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 2759326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).