1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one

C18H20ClN3O2 — CID 91345615

IUPAC1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one
SMILESO=C(CN1CCN(c2ccccn2)CC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c19-15-6-4-14(5-7-15)18(24)16(23)13-21-9-11-22(12-10-21)17-3-1-2-8-20-17/h1-8,18,24H,9-13H2
InChIKeyFKTGBJWXRYIINB-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one

1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one (PubChem CID 91345615) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one
PubChem CID91345615
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one
SMILESO=C(CN1CCN(c2ccccn2)CC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c19-15-6-4-14(5-7-15)18(24)16(23)13-21-9-11-22(12-10-21)17-3-1-2-8-20-17/h1-8,18,24H,9-13H2
InChIKeyFKTGBJWXRYIINB-UHFFFAOYSA-N
XLogP2.16
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-[2-(chloromethyl)prop-2-enyl]-4-pyridin-2-ylpiperazine
CID 103067602
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
4-(4-chloroanilino)-4-oxo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]butanoic acid
CID 53370115
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109380809
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546590
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 111540248
N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8545961
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one (CID 91345615) is 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one is O=C(CN1CCN(c2ccccn2)CC1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one?
The InChIKey is FKTGBJWXRYIINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-6-4-14(5-7-15)18(24)16(23)13-21-9-11-22(12-10-21)17-3-1-2-8-20-17/h1-8,18,24H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one?
1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one has a molecular weight of 345.83 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 91345615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).