1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol

C15H24N2O3 — CID 82265663

IUPAC1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)N2CCNCC2)c1
InChIInChI=1S/C15H24N2O3/c1-11(17-8-6-16-7-9-17)15(18)13-10-12(19-2)4-5-14(13)20-3/h4-5,10-11,15-16,18H,6-9H2,1-3H3
InChIKeyTXEXSKLGFRQBTO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol

1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol (PubChem CID 82265663) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
PubChem CID82265663
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)N2CCNCC2)c1
InChIInChI=1S/C15H24N2O3/c1-11(17-8-6-16-7-9-17)15(18)13-10-12(19-2)4-5-14(13)20-3/h4-5,10-11,15-16,18H,6-9H2,1-3H3
InChIKeyTXEXSKLGFRQBTO-UHFFFAOYSA-N
XLogP1.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171274130
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82263354
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82264598
(3S)-3-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305853

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol (CID 82265663) is 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol is COc1ccc(OC)c(C(O)C(C)N2CCNCC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The InChIKey is TXEXSKLGFRQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(17-8-6-16-7-9-17)15(18)13-10-12(19-2)4-5-14(13)20-3/h4-5,10-11,15-16,18H,6-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82265663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).