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

C20H26N2O2 — CID 10711251

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESCOc1ccc(N2CCN(CCC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-24-19-9-7-18(8-10-19)22-15-13-21(14-16-22)12-11-20(23)17-5-3-2-4-6-17/h2-10,20,23H,11-16H2,1H3
InChIKeyXJDBPHRIKPQDFL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds6

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

3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (PubChem CID 10711251) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
PubChem CID10711251
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESCOc1ccc(N2CCN(CCC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-24-19-9-7-18(8-10-19)22-15-13-21(14-16-22)12-11-20(23)17-5-3-2-4-6-17/h2-10,20,23H,11-16H2,1H3
InChIKeyXJDBPHRIKPQDFL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 82071149
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422870
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (CID 10711251) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is COc1ccc(N2CCN(CCC(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is XJDBPHRIKPQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-24-19-9-7-18(8-10-19)22-15-13-21(14-16-22)12-11-20(23)17-5-3-2-4-6-17/h2-10,20,23H,11-16H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
3-[4-(4-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-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 10711251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).