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

C20H27N3O3 — CID 3049122

IUPAC1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc(N)c2)CC1
InChIInChI=1S/C20H27N3O3/c1-25-20-8-3-2-7-19(20)23-11-9-22(10-12-23)14-17(24)15-26-18-6-4-5-16(21)13-18/h2-8,13,17,24H,9-12,14-15,21H2,1H3
InChIKeyZEBCRSNQFDZHCK-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.84
Rot. Bonds7

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

1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 3049122) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
PubChem CID3049122
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc(N)c2)CC1
InChIInChI=1S/C20H27N3O3/c1-25-20-8-3-2-7-19(20)23-11-9-22(10-12-23)14-17(24)15-26-18-6-4-5-16(21)13-18/h2-8,13,17,24H,9-12,14-15,21H2,1H3
InChIKeyZEBCRSNQFDZHCK-UHFFFAOYSA-N
XLogP1.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol (CID 3049122) is 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol is COc1ccccc1N1CCN(CC(O)COc2cccc(N)c2)CC1.
What is the InChIKey of 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is ZEBCRSNQFDZHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-25-20-8-3-2-7-19(20)23-11-9-22(10-12-23)14-17(24)15-26-18-6-4-5-16(21)13-18/h2-8,13,17,24H,9-12,14-15,21H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 357.45 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3049122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).