1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol

C14H22N2O3 — CID 3159843

IUPAC1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESCOc1ccccc1OCC(O)CN1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h2-5,12,15,17H,6-11H2,1H3
InChIKeyHVPPJURUTODQOY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.34
Rot. Bonds6

About 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol

1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol (PubChem CID 3159843) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol
PubChem CID3159843
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESCOc1ccccc1OCC(O)CN1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h2-5,12,15,17H,6-11H2,1H3
InChIKeyHVPPJURUTODQOY-UHFFFAOYSA-N
XLogP0.34
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol (CID 3159843) is 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol is COc1ccccc1OCC(O)CN1CCNCC1.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is HVPPJURUTODQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h2-5,12,15,17H,6-11H2,1H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol?
1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 3159843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).