1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol

C15H24N2O3 — CID 82093877

IUPAC1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(OC)c(C(O)CCN2CCNCC2)c1
InChIInChI=1S/C15H24N2O3/c1-19-12-3-4-15(20-2)13(11-12)14(18)5-8-17-9-6-16-7-10-17/h3-4,11,14,16,18H,5-10H2,1-2H3
InChIKeyOGOYQIRBJNPPEC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol

1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82093877) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82093877
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(OC)c(C(O)CCN2CCNCC2)c1
InChIInChI=1S/C15H24N2O3/c1-19-12-3-4-15(20-2)13(11-12)14(18)5-8-17-9-6-16-7-10-17/h3-4,11,14,16,18H,5-10H2,1-2H3
InChIKeyOGOYQIRBJNPPEC-UHFFFAOYSA-N
XLogP1.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074465
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
CID 117033913
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol (CID 82093877) is 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol is COc1ccc(OC)c(C(O)CCN2CCNCC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is OGOYQIRBJNPPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-12-3-4-15(20-2)13(11-12)14(18)5-8-17-9-6-16-7-10-17/h3-4,11,14,16,18H,5-10H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82093877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).