1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol

C20H26N2O — CID 52984142

IUPAC1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-16-8-9-19(17(2)14-16)20(23)15-21-10-12-22(13-11-21)18-6-4-3-5-7-18/h3-9,14,20,23H,10-13,15H2,1-2H3
InChIKeyKJTDZQIBTDLENU-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol

1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol (PubChem CID 52984142) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
PubChem CID52984142
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-16-8-9-19(17(2)14-16)20(23)15-21-10-12-22(13-11-21)18-6-4-3-5-7-18/h3-9,14,20,23H,10-13,15H2,1-2H3
InChIKeyKJTDZQIBTDLENU-UHFFFAOYSA-N
XLogP3.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol (CID 52984142) is 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol is Cc1ccc(C(O)CN2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The InChIKey is KJTDZQIBTDLENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-8-9-19(17(2)14-16)20(23)15-21-10-12-22(13-11-21)18-6-4-3-5-7-18/h3-9,14,20,23H,10-13,15H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol has a molecular weight of 310.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 52984142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).