1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol

C21H28N2O2 — CID 53180191

IUPAC1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1cccc(N2CCN(CC(O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C21H28N2O2/c1-16-7-8-17(2)20(13-16)21(24)15-22-9-11-23(12-10-22)18-5-4-6-19(14-18)25-3/h4-8,13-14,21,24H,9-12,15H2,1-3H3
InChIKeySALGTSUYJZBCIR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.17
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol

1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 53180191) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
PubChem CID53180191
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1cccc(N2CCN(CC(O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C21H28N2O2/c1-16-7-8-17(2)20(13-16)21(24)15-22-9-11-23(12-10-22)18-5-4-6-19(14-18)25-3/h4-8,13-14,21,24H,9-12,15H2,1-3H3
InChIKeySALGTSUYJZBCIR-UHFFFAOYSA-N
XLogP3.17
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.17
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
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
CID 52905693
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
CID 63915152
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110181732
1-(4-tert-butyl-2-methylphenoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 46557624
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol (CID 53180191) is 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol is COc1cccc(N2CCN(CC(O)c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is SALGTSUYJZBCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-7-8-17(2)20(13-16)21(24)15-22-9-11-23(12-10-22)18-5-4-6-19(14-18)25-3/h4-8,13-14,21,24H,9-12,15H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol?
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 340.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 53180191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).