1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one

C22H28N2O4 — CID 70170185

IUPAC1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one
SMILESCOc1ccccc1OCC(O)CN1CCN(c2c(C)cccc2C)C(=O)C1
InChIInChI=1S/C22H28N2O4/c1-16-7-6-8-17(2)22(16)24-12-11-23(14-21(24)26)13-18(25)15-28-20-10-5-4-9-19(20)27-3/h4-10,18,25H,11-15H2,1-3H3
InChIKeyVLIXAHLVFRNNLY-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.40
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one

1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one (PubChem CID 70170185) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one
PubChem CID70170185
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one
SMILESCOc1ccccc1OCC(O)CN1CCN(c2c(C)cccc2C)C(=O)C1
InChIInChI=1S/C22H28N2O4/c1-16-7-6-8-17(2)22(16)24-12-11-23(14-21(24)26)13-18(25)15-28-20-10-5-4-9-19(20)27-3/h4-10,18,25H,11-15H2,1-3H3
InChIKeyVLIXAHLVFRNNLY-UHFFFAOYSA-N
XLogP2.40
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58160655
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840925
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840923
1-[4-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 3154143
1-(2,6-dimethylphenoxy)-3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 54598123
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol
CID 173271836
1-[2,6-bis(trideuteriomethyl)phenyl]-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one;1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 123533473
1-[2,6-bis(trideuteriomethyl)phenyl]-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58326088
2,3-dihydroxybutanedioic acid;N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 45280732
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one (CID 70170185) is 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one is COc1ccccc1OCC(O)CN1CCN(c2c(C)cccc2C)C(=O)C1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one?
The InChIKey is VLIXAHLVFRNNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-7-6-8-17(2)22(16)24-12-11-23(14-21(24)26)13-18(25)15-28-20-10-5-4-9-19(20)27-3/h4-10,18,25H,11-15H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one?
1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one has a molecular weight of 384.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one is sourced from PubChem (CID 70170185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).