2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol

C21H28N2O3 — CID 17442681

IUPAC2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCOc1ccc(OC)c(CN2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-25-19-8-9-21(26-2)18(14-19)15-22-10-12-23(13-11-22)16-20(24)17-6-4-3-5-7-17/h3-9,14,20,24H,10-13,15-16H2,1-2H3
InChIKeyODWSDQNFXIPTSV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 17442681) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID17442681
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCOc1ccc(OC)c(CN2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-25-19-8-9-21(26-2)18(14-19)15-22-10-12-23(13-11-22)16-20(24)17-6-4-3-5-7-17/h3-9,14,20,24H,10-13,15-16H2,1-2H3
InChIKeyODWSDQNFXIPTSV-UHFFFAOYSA-N
XLogP2.56
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 10071478
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol
CID 111489429
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 37280250
1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 17385208
3-(3,4-dimethoxyphenyl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]prop-2-en-1-one
CID 70430326
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol (CID 17442681) is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol is COc1ccc(OC)c(CN2CCN(CC(O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is ODWSDQNFXIPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-19-8-9-21(26-2)18(14-19)15-22-10-12-23(13-11-22)16-20(24)17-6-4-3-5-7-17/h3-9,14,20,24H,10-13,15-16H2,1-2H3.
What are the key properties of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol?
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 356.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 17442681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).