1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one

C22H28N2O3 — CID 10992240

IUPAC1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-27-22-8-3-2-6-20(22)24-16-14-23(15-17-24)13-5-4-7-21(26)18-9-11-19(25)12-10-18/h2-3,6,8-12,25H,4-5,7,13-17H2,1H3
InChIKeyPEWCXBPTRJHDGN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.58
Rot. Bonds8

About 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one

1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one (PubChem CID 10992240) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
PubChem CID10992240
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-27-22-8-3-2-6-20(22)24-16-14-23(15-17-24)13-5-4-7-21(26)18-9-11-19(25)12-10-18/h2-3,6,8-12,25H,4-5,7,13-17H2,1H3
InChIKeyPEWCXBPTRJHDGN-UHFFFAOYSA-N
XLogP3.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.58
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-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one (CID 10992240) is 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one is COc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is PEWCXBPTRJHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-22-8-3-2-6-20(22)24-16-14-23(15-17-24)13-5-4-7-21(26)18-9-11-19(25)12-10-18/h2-3,6,8-12,25H,4-5,7,13-17H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 10992240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).