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

C23H30N2O3 — CID 11825129

IUPAC1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C23H30N2O3/c1-28-23-9-5-4-7-21(23)25-17-15-24(16-18-25)14-6-2-3-8-22(27)19-10-12-20(26)13-11-19/h4-5,7,9-13,26H,2-3,6,8,14-18H2,1H3
InChIKeyQVYMFVMRXWDCCS-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.97
Rot. Bonds9

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

1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one (PubChem CID 11825129) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
PubChem CID11825129
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C23H30N2O3/c1-28-23-9-5-4-7-21(23)25-17-15-24(16-18-25)14-6-2-3-8-22(27)19-10-12-20(26)13-11-19/h4-5,7,9-13,26H,2-3,6,8,14-18H2,1H3
InChIKeyQVYMFVMRXWDCCS-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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Related Compounds

5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide
CID 3063182
[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
CID 3063186
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
(E)-but-2-enedioic acid;ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate
CID 13302197
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-dibenzofuran-2-yl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 5124035
methyl 4-hydroxy-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]benzoate
CID 139690579
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one (CID 11825129) is 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one is COc1ccccc1N1CCN(CCCCCC(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is QVYMFVMRXWDCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-28-23-9-5-4-7-21(23)25-17-15-24(16-18-25)14-6-2-3-8-22(27)19-10-12-20(26)13-11-19/h4-5,7,9-13,26H,2-3,6,8,14-18H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one?
1-(4-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-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 11825129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).