2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol

C21H28N2O — CID 23723733

IUPAC2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1-c1cccc(CN2CCN(C)C(CCO)C2)c1
InChIInChI=1S/C21H28N2O/c1-17-6-3-4-9-21(17)19-8-5-7-18(14-19)15-23-12-11-22(2)20(16-23)10-13-24/h3-9,14,20,24H,10-13,15-16H2,1-2H3
InChIKeyZJFBGYZQDPFVAP-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.16
Rot. Bonds5

About 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol

2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol (PubChem CID 23723733) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol
PubChem CID23723733
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1-c1cccc(CN2CCN(C)C(CCO)C2)c1
InChIInChI=1S/C21H28N2O/c1-17-6-3-4-9-21(17)19-8-5-7-18(14-19)15-23-12-11-22(2)20(16-23)10-13-24/h3-9,14,20,24H,10-13,15-16H2,1-2H3
InChIKeyZJFBGYZQDPFVAP-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol (CID 23723733) is 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol is Cc1ccccc1-c1cccc(CN2CCN(C)C(CCO)C2)c1.
What is the InChIKey of 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
The InChIKey is ZJFBGYZQDPFVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-6-3-4-9-21(17)19-8-5-7-18(14-19)15-23-12-11-22(2)20(16-23)10-13-24/h3-9,14,20,24H,10-13,15-16H2,1-2H3.
What are the key properties of 2-[1-methyl-4-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[[3-(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-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).