1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one

C20H24N2O2 — CID 123226657

IUPAC1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESCC1C(O)NCCN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15-20(24)21-12-13-22(15)19(23)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18,20-21,24H,12-14H2,1H3
InChIKeyWKURSLUPQLKLBB-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one

1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one (PubChem CID 123226657) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one
PubChem CID123226657
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESCC1C(O)NCCN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15-20(24)21-12-13-22(15)19(23)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18,20-21,24H,12-14H2,1H3
InChIKeyWKURSLUPQLKLBB-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one
CID 120571964
1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid
CID 11773472
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 120573189
1-(2-iodopiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 69269178
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951701

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one (CID 123226657) is 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one is CC1C(O)NCCN1C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The InChIKey is WKURSLUPQLKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-20(24)21-12-13-22(15)19(23)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18,20-21,24H,12-14H2,1H3.
What are the key properties of 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 123226657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).