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

C20H27N3O3 — CID 3049115

IUPAC1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(N2CCN(CC(O)COc3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-25-19-8-4-17(5-9-19)23-12-10-22(11-13-23)14-18(24)15-26-20-6-2-16(21)3-7-20/h2-9,18,24H,10-15,21H2,1H3
InChIKeyQSFKSNIQUQNOAM-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.84
Rot. Bonds7

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

1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 3049115) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
PubChem CID3049115
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(N2CCN(CC(O)COc3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-25-19-8-4-17(5-9-19)23-12-10-22(11-13-23)14-18(24)15-26-20-6-2-16(21)3-7-20/h2-9,18,24H,10-15,21H2,1H3
InChIKeyQSFKSNIQUQNOAM-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol (CID 3049115) is 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol is COc1ccc(N2CCN(CC(O)COc3ccc(N)cc3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is QSFKSNIQUQNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-25-19-8-4-17(5-9-19)23-12-10-22(11-13-23)14-18(24)15-26-20-6-2-16(21)3-7-20/h2-9,18,24H,10-15,21H2,1H3.
What are the key properties of 1-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
1-(4-aminophenoxy)-3-[4-(4-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-(4-aminophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3049115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).