1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one

C23H30N2O3 — CID 11047201

IUPAC1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C23H30N2O3/c1-28-23-12-5-4-10-21(23)25-16-14-24(15-17-25)13-6-2-3-11-22(27)19-8-7-9-20(26)18-19/h4-5,7-10,12,18,26H,2-3,6,11,13-17H2,1H3
InChIKeyRKSKZMMTIMNXIR-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.97
Rot. Bonds9

About 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one

1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one (PubChem CID 11047201) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
PubChem CID11047201
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C23H30N2O3/c1-28-23-12-5-4-10-21(23)25-16-14-24(15-17-25)13-6-2-3-11-22(27)19-8-7-9-20(26)18-19/h4-5,7-10,12,18,26H,2-3,6,11,13-17H2,1H3
InChIKeyRKSKZMMTIMNXIR-UHFFFAOYSA-N
XLogP3.97
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one (CID 11047201) is 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one is COc1ccccc1N1CCN(CCCCCC(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is RKSKZMMTIMNXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-28-23-12-5-4-10-21(23)25-16-14-24(15-17-25)13-6-2-3-11-22(27)19-8-7-9-20(26)18-19/h4-5,7-10,12,18,26H,2-3,6,11,13-17H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one has a molecular weight of 382.50 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 11047201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).