1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol

C14H22N2O — CID 4580010

IUPAC1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCc1ccc(C(O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(12(2)9-11)14(17)10-16-7-5-15-6-8-16/h3-4,9,14-15,17H,5-8,10H2,1-2H3
InChIKeyOPZOKRKXVZPGNY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.24
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol

1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol (PubChem CID 4580010) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
PubChem CID4580010
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCc1ccc(C(O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(12(2)9-11)14(17)10-16-7-5-15-6-8-16/h3-4,9,14-15,17H,5-8,10H2,1-2H3
InChIKeyOPZOKRKXVZPGNY-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3878762
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol
CID 82266503
1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038082
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
CID 63165368
1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
CID 82267582
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol (CID 4580010) is 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol is Cc1ccc(C(O)CN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is OPZOKRKXVZPGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-4-13(12(2)9-11)14(17)10-16-7-5-15-6-8-16/h3-4,9,14-15,17H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol?
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 234.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 4580010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).