1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one

C22H28N2O2 — CID 11142729

IUPAC1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one
SMILESO=C(CCCCCN1CCN(c2ccccc2)CC1)c1ccccc1O
InChIInChI=1S/C22H28N2O2/c25-21(20-11-6-7-13-22(20)26)12-5-2-8-14-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h1,3-4,6-7,9-11,13,26H,2,5,8,12,14-18H2
InChIKeyLKLABFZLXIKXEN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.96
Rot. Bonds8

About 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one

1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one (PubChem CID 11142729) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one
PubChem CID11142729
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one
SMILESO=C(CCCCCN1CCN(c2ccccc2)CC1)c1ccccc1O
InChIInChI=1S/C22H28N2O2/c25-21(20-11-6-7-13-22(20)26)12-5-2-8-14-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h1,3-4,6-7,9-11,13,26H,2,5,8,12,14-18H2
InChIKeyLKLABFZLXIKXEN-UHFFFAOYSA-N
XLogP3.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one (CID 11142729) is 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one is O=C(CCCCCN1CCN(c2ccccc2)CC1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one?
The InChIKey is LKLABFZLXIKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21(20-11-6-7-13-22(20)26)12-5-2-8-14-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h1,3-4,6-7,9-11,13,26H,2,5,8,12,14-18H2.
What are the key properties of 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one?
1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-6-(4-phenylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 11142729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).