3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol

C20H26N2O2 — CID 15786488

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3
InChIKeyRUJGLDVSJMAWNJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (PubChem CID 15786488) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
PubChem CID15786488
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3
InChIKeyRUJGLDVSJMAWNJ-UHFFFAOYSA-N
XLogP2.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (CID 15786488) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is RUJGLDVSJMAWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 15786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).