1-phenoxy-3-piperazin-1-ylpropan-2-ol

C13H20N2O2 — CID 2802152

IUPAC1-phenoxy-3-piperazin-1-ylpropan-2-ol
SMILESOC(COc1ccccc1)CN1CCNCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-15-8-6-14-7-9-15)11-17-13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2
InChIKeyMWEXFYJNMHVCPG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.33
Rot. Bonds5

About 1-phenoxy-3-piperazin-1-ylpropan-2-ol

1-phenoxy-3-piperazin-1-ylpropan-2-ol (PubChem CID 2802152) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-phenoxy-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-piperazin-1-ylpropan-2-ol
PubChem CID2802152
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name1-phenoxy-3-piperazin-1-ylpropan-2-ol
SMILESOC(COc1ccccc1)CN1CCNCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-15-8-6-14-7-9-15)11-17-13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2
InChIKeyMWEXFYJNMHVCPG-UHFFFAOYSA-N
XLogP0.33
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-phenoxy-3-piperazin-1-ylpropan-2-ol (CID 2802152) is 1-phenoxy-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-phenoxy-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-phenoxy-3-piperazin-1-ylpropan-2-ol is OC(COc1ccccc1)CN1CCNCC1.
What is the InChIKey of 1-phenoxy-3-piperazin-1-ylpropan-2-ol?
The InChIKey is MWEXFYJNMHVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12(10-15-8-6-14-7-9-15)11-17-13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2.
What are the key properties of 1-phenoxy-3-piperazin-1-ylpropan-2-ol?
1-phenoxy-3-piperazin-1-ylpropan-2-ol has a molecular weight of 236.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 2802152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).