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

C20H26N2O3 — CID 3050370

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCOc1cccc(N2CCN(CC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O3/c1-24-20-9-5-6-17(14-20)22-12-10-21(11-13-22)15-18(23)16-25-19-7-3-2-4-8-19/h2-9,14,18,23H,10-13,15-16H2,1H3
InChIKeyGAEVZJMONMLEOR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.26
Rot. Bonds7

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

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 3050370) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID3050370
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCOc1cccc(N2CCN(CC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O3/c1-24-20-9-5-6-17(14-20)22-12-10-21(11-13-22)15-18(23)16-25-19-7-3-2-4-8-19/h2-9,14,18,23H,10-13,15-16H2,1H3
InChIKeyGAEVZJMONMLEOR-UHFFFAOYSA-N
XLogP2.26
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol (CID 3050370) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol is COc1cccc(N2CCN(CC(O)COc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is GAEVZJMONMLEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-20-9-5-6-17(14-20)22-12-10-21(11-13-22)15-18(23)16-25-19-7-3-2-4-8-19/h2-9,14,18,23H,10-13,15-16H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 3050370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).