1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride

C19H27Cl4N3O2 — CID 3049146

IUPAC1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
SMILESCl.Cl.Cl.Nc1ccccc1OCC(O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O2.3ClH/c20-15-5-7-16(8-6-15)23-11-9-22(10-12-23)13-17(24)14-25-19-4-2-1-3-18(19)21;;;/h1-8,17,24H,9-14,21H2;3*1H
InChIKeyFEFIABXZCPOTTQ-UHFFFAOYSA-N
MW471.26 g/mol
LogP3.75
Rot. Bonds6

About 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride

1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride (PubChem CID 3049146) has the molecular formula C19H27Cl4N3O2 and a molecular weight of 471.26 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
PubChem CID3049146
Molecular FormulaC19H27Cl4N3O2
Molecular Weight471.26 g/mol
Exact Mass469.09
IUPAC Name1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
SMILESCl.Cl.Cl.Nc1ccccc1OCC(O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O2.3ClH/c20-15-5-7-16(8-6-15)23-11-9-22(10-12-23)13-17(24)14-25-19-4-2-1-3-18(19)21;;;/h1-8,17,24H,9-14,21H2;3*1H
InChIKeyFEFIABXZCPOTTQ-UHFFFAOYSA-N
XLogP3.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride?
The IUPAC name of 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride (CID 3049146) is 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride.
What is the SMILES notation for 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride?
The canonical SMILES for 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride is Cl.Cl.Cl.Nc1ccccc1OCC(O)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride?
The InChIKey is FEFIABXZCPOTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.3ClH/c20-15-5-7-16(8-6-15)23-11-9-22(10-12-23)13-17(24)14-25-19-4-2-1-3-18(19)21;;;/h1-8,17,24H,9-14,21H2;3*1H.
What are the key properties of 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride?
1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride has a molecular weight of 471.26 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol;trihydrochloride is sourced from PubChem (CID 3049146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).