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

C19H22N2O2 — CID 59140032

IUPAC1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H22N2O2/c22-18-8-4-7-17(13-18)15-20-9-11-21(12-10-20)19(23)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14-15H2
InChIKeyROXUFVAVONIXJM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.28
Rot. Bonds4

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

1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 59140032) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
PubChem CID59140032
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H22N2O2/c22-18-8-4-7-17(13-18)15-20-9-11-21(12-10-20)19(23)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14-15H2
InChIKeyROXUFVAVONIXJM-UHFFFAOYSA-N
XLogP2.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028603
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
1-(4-benzylpiperazin-1-yl)-2-(3-bromophenyl)ethanone
CID 100698276
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone (CID 59140032) is 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is ROXUFVAVONIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-8-4-7-17(13-18)15-20-9-11-21(12-10-20)19(23)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14-15H2.
What are the key properties of 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 310.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 59140032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).