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

C21H28N2O2 — CID 53180192

IUPAC1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
SMILESCCOc1ccc(C(O)CN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-3-25-20-9-7-18(8-10-20)21(24)16-22-11-13-23(14-12-22)19-6-4-5-17(2)15-19/h4-10,15,21,24H,3,11-14,16H2,1-2H3
InChIKeyAZGCCFJMPAKXCX-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.25
Rot. Bonds6

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

1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol (PubChem CID 53180192) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
PubChem CID53180192
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
SMILESCCOc1ccc(C(O)CN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-3-25-20-9-7-18(8-10-20)21(24)16-22-11-13-23(14-12-22)19-6-4-5-17(2)15-19/h4-10,15,21,24H,3,11-14,16H2,1-2H3
InChIKeyAZGCCFJMPAKXCX-UHFFFAOYSA-N
XLogP3.25
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184
1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
CID 63618670
1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
CID 53180191
diethyl 4-[4-[2-hydroxy-3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10099681
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol (CID 53180192) is 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol is CCOc1ccc(C(O)CN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol?
The InChIKey is AZGCCFJMPAKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-25-20-9-7-18(8-10-20)21(24)16-22-11-13-23(14-12-22)19-6-4-5-17(2)15-19/h4-10,15,21,24H,3,11-14,16H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol?
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol has a molecular weight of 340.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 53180192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).