2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol

C21H28N2O — CID 23723600

IUPAC2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1-c1ccc(CN2CCN(C)C(CCO)C2)cc1
InChIInChI=1S/C21H28N2O/c1-17-5-3-4-6-21(17)19-9-7-18(8-10-19)15-23-13-12-22(2)20(16-23)11-14-24/h3-10,20,24H,11-16H2,1-2H3
InChIKeyLOZMAUVVWDBWMB-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.16
Rot. Bonds5

About 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol

2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol (PubChem CID 23723600) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol
PubChem CID23723600
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1-c1ccc(CN2CCN(C)C(CCO)C2)cc1
InChIInChI=1S/C21H28N2O/c1-17-5-3-4-6-21(17)19-9-7-18(8-10-19)15-23-13-12-22(2)20(16-23)11-14-24/h3-10,20,24H,11-16H2,1-2H3
InChIKeyLOZMAUVVWDBWMB-UHFFFAOYSA-N
XLogP3.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
1-Benzhydryl-4-butylpiperidin-4-ol
CID 22970051
[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
1-Benzhydryl-4-isopropylpiperidin-4-ol
CID 44430025
2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 90655530
1-(Naphthalen-2-ylmethyl)piperidin-4-ol
CID 764610
2-[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]ethanol
CID 767847
2-{1-Isobutyl-4-[4-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16190721
2-[1-Isopropyl-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723392
2-[4-(Cyclopropylmethyl)-1-(2-methylbenzyl)-2-piperazinyl]ethanol
CID 23723706
2-[4-Cyclobutyl-1-(4-methylbenzyl)piperazin-2-yl]ethanol
CID 23723903
[4-(2-Hydroxyethyl)-1-piperazinyl]-(4-phenylphenyl)methanethione
CID 848267

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol (CID 23723600) is 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol is Cc1ccccc1-c1ccc(CN2CCN(C)C(CCO)C2)cc1.
What is the InChIKey of 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
The InChIKey is LOZMAUVVWDBWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-5-3-4-6-21(17)19-9-7-18(8-10-19)15-23-13-12-22(2)20(16-23)11-14-24/h3-10,20,24H,11-16H2,1-2H3.
What are the key properties of 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol has a molecular weight of 324.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[[4-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).