2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone

C13H18N2O2 — CID 81427817

IUPAC2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cc2ccccc2O)CCN1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(7-6-14-10)13(17)8-11-4-2-3-5-12(11)16/h2-5,10,14,16H,6-9H2,1H3/t10-/m0/s1
InChIKeyQADJRTAJFFFJDS-JTQLQIEISA-N
MW234.30 g/mol
LogP0.75
Rot. Bonds2

About 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone

2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone (PubChem CID 81427817) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
PubChem CID81427817
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cc2ccccc2O)CCN1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(7-6-14-10)13(17)8-11-4-2-3-5-12(11)16/h2-5,10,14,16H,6-9H2,1H3/t10-/m0/s1
InChIKeyQADJRTAJFFFJDS-JTQLQIEISA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
2-(4-chlorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 81428539
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 119579172
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
1-[(3R)-3-methylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 81426431
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone (CID 81427817) is 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone is C[C@H]1CN(C(=O)Cc2ccccc2O)CCN1.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is QADJRTAJFFFJDS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-15(7-6-14-10)13(17)8-11-4-2-3-5-12(11)16/h2-5,10,14,16H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 81427817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).