3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one

C21H26N2O2 — CID 2946962

IUPAC3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCNCC2)c2ccccc2)c(O)c1C
InChIInChI=1S/C21H26N2O2/c1-15-8-9-18(21(25)16(15)2)19(17-6-4-3-5-7-17)14-20(24)23-12-10-22-11-13-23/h3-9,19,22,25H,10-14H2,1-2H3
InChIKeyBRGBGTPPOGEBIZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.96
Rot. Bonds4

About 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one

3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one (PubChem CID 2946962) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
PubChem CID2946962
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCNCC2)c2ccccc2)c(O)c1C
InChIInChI=1S/C21H26N2O2/c1-15-8-9-18(21(25)16(15)2)19(17-6-4-3-5-7-17)14-20(24)23-12-10-22-11-13-23/h3-9,19,22,25H,10-14H2,1-2H3
InChIKeyBRGBGTPPOGEBIZ-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
CID 756632
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 650871
(3S)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 937099
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 934587
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 164754110
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one (CID 2946962) is 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one is Cc1ccc(C(CC(=O)N2CCNCC2)c2ccccc2)c(O)c1C.
What is the InChIKey of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is BRGBGTPPOGEBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-9-18(21(25)16(15)2)19(17-6-4-3-5-7-17)14-20(24)23-12-10-22-11-13-23/h3-9,19,22,25H,10-14H2,1-2H3.
What are the key properties of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one?
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 338.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 2946962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).