ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone

C15H24N2O2 — CID 177161968

IUPACethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCC.Cc1ccc(N2CCN(C(=O)CO)CC2)cc1
InChIInChI=1S/C13H18N2O2.C2H6/c1-11-2-4-12(5-3-11)14-6-8-15(9-7-14)13(17)10-16;1-2/h2-5,16H,6-10H2,1H3;1-2H3
InChIKeyQXUZTTPLZCEGSN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.66
Rot. Bonds2

About ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone

ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 177161968) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
PubChem CID177161968
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCC.Cc1ccc(N2CCN(C(=O)CO)CC2)cc1
InChIInChI=1S/C13H18N2O2.C2H6/c1-11-2-4-12(5-3-11)14-6-8-15(9-7-14)13(17)10-16;1-2/h2-5,16H,6-10H2,1H3;1-2H3
InChIKeyQXUZTTPLZCEGSN-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
(Z)-1-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methyl-3-(4-methylphenyl)prop-2-en-1-one
CID 110008975
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113076572
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methoxy-4-methylbenzamide;3-methyloxetane
CID 145052495
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 1121259
5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 4741180
sodium 2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoacetate
CID 23669413
ethanol;bis(1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one);dihydrochloride
CID 172885436
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone (CID 177161968) is ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone is CC.Cc1ccc(N2CCN(C(=O)CO)CC2)cc1.
What is the InChIKey of ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is QXUZTTPLZCEGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C2H6/c1-11-2-4-12(5-3-11)14-6-8-15(9-7-14)13(17)10-16;1-2/h2-5,16H,6-10H2,1H3;1-2H3.
What are the key properties of ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 177161968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).