2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol

C15H24N2O — CID 116860255

IUPAC2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCc1ccc(C)c(C(CO)N2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-12-4-5-13(2)14(10-12)15(11-18)17-8-6-16(3)7-9-17/h4-5,10,15,18H,6-9,11H2,1-3H3
InChIKeyQETSJMGGUAOTBX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.58
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol

2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 116860255) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID116860255
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCc1ccc(C)c(C(CO)N2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-12-4-5-13(2)14(10-12)15(11-18)17-8-6-16(3)7-9-17/h4-5,10,15,18H,6-9,11H2,1-3H3
InChIKeyQETSJMGGUAOTBX-UHFFFAOYSA-N
XLogP1.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183677
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420308
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
CID 54977844
(3R)-3-(2,5-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189349
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860282
3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
1-[(1S)-1-(2,5-dimethylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171283999
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82302460
2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860268

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol (CID 116860255) is 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol is Cc1ccc(C)c(C(CO)N2CCN(C)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is QETSJMGGUAOTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-4-5-13(2)14(10-12)15(11-18)17-8-6-16(3)7-9-17/h4-5,10,15,18H,6-9,11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 116860255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).