4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol

C14H22N2O2 — CID 82266503

IUPAC4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(C(O)CN2CCNCC2)c1C
InChIInChI=1S/C14H22N2O2/c1-10-11(2)13(17)4-3-12(10)14(18)9-16-7-5-15-6-8-16/h3-4,14-15,17-18H,5-9H2,1-2H3
InChIKeyGAGDFHSCVSZCFQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.95
Rot. Bonds3

About 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol

4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol (PubChem CID 82266503) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol
PubChem CID82266503
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(C(O)CN2CCNCC2)c1C
InChIInChI=1S/C14H22N2O2/c1-10-11(2)13(17)4-3-12(10)14(18)9-16-7-5-15-6-8-16/h3-4,14-15,17-18H,5-9H2,1-2H3
InChIKeyGAGDFHSCVSZCFQ-UHFFFAOYSA-N
XLogP0.95
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
5-[(1R)-1-hydroxy-2-piperazin-1-ylethyl]-4-methyl-3H-2-benzofuran-1-one
CID 59568728
2-piperazin-1-yl-1-(2,3,4-trichlorophenyl)ethanol
CID 3955467
1-(5-methylfuran-2-yl)-2-piperazin-1-ylethanol
CID 3494816
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
CID 82267582
1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3878762
N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116954929

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol?
The IUPAC name of 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol (CID 82266503) is 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol?
The canonical SMILES for 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol is Cc1c(O)ccc(C(O)CN2CCNCC2)c1C.
What is the InChIKey of 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol?
The InChIKey is GAGDFHSCVSZCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-11(2)13(17)4-3-12(10)14(18)9-16-7-5-15-6-8-16/h3-4,14-15,17-18H,5-9H2,1-2H3.
What are the key properties of 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol?
4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol has a molecular weight of 250.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol is sourced from PubChem (CID 82266503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).