1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

C17H22N4O — CID 82215753

IUPAC1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H22N4O/c1-14-3-5-15(6-4-14)16(22)13-20-9-11-21(12-10-20)17-18-7-2-8-19-17/h2-8,16,22H,9-13H2,1H3
InChIKeyJHFIVKUEMOWEKU-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.64
Rot. Bonds4

About 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (PubChem CID 82215753) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
PubChem CID82215753
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H22N4O/c1-14-3-5-15(6-4-14)16(22)13-20-9-11-21(12-10-20)17-18-7-2-8-19-17/h2-8,16,22H,9-13H2,1H3
InChIKeyJHFIVKUEMOWEKU-UHFFFAOYSA-N
XLogP1.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 51590883
(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
CID 95049270
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872206
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
1-[6-[(1S)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51593609
4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 95811440
(1S)-1-(1-ethylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872225
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (CID 82215753) is 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is Cc1ccc(C(O)CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is JHFIVKUEMOWEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-3-5-15(6-4-14)16(22)13-20-9-11-21(12-10-20)17-18-7-2-8-19-17/h2-8,16,22H,9-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 298.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 82215753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).