1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one

C21H27N3O2 — CID 11131952

IUPAC1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
SMILESO=C(CCCCCN1CCN(c2ccccn2)CC1)c1ccccc1O
InChIInChI=1S/C21H27N3O2/c25-19(18-8-3-4-10-20(18)26)9-2-1-7-13-23-14-16-24(17-15-23)21-11-5-6-12-22-21/h3-6,8,10-12,26H,1-2,7,9,13-17H2
InChIKeyMZZKPCVBDUNXJD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.35
Rot. Bonds8

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

1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one (PubChem CID 11131952) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
PubChem CID11131952
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
SMILESO=C(CCCCCN1CCN(c2ccccn2)CC1)c1ccccc1O
InChIInChI=1S/C21H27N3O2/c25-19(18-8-3-4-10-20(18)26)9-2-1-7-13-23-14-16-24(17-15-23)21-11-5-6-12-22-21/h3-6,8,10-12,26H,1-2,7,9,13-17H2
InChIKeyMZZKPCVBDUNXJD-UHFFFAOYSA-N
XLogP3.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.35
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

4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
CID 164628176
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one (CID 11131952) is 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one is O=C(CCCCCN1CCN(c2ccccn2)CC1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one?
The InChIKey is MZZKPCVBDUNXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-19(18-8-3-4-10-20(18)26)9-2-1-7-13-23-14-16-24(17-15-23)21-11-5-6-12-22-21/h3-6,8,10-12,26H,1-2,7,9,13-17H2.
What are the key properties of 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one?
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one has a molecular weight of 353.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 11131952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).