3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol

C17H22N4O2 — CID 86795904

IUPAC3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
SMILESCCOc1cc(N2CCN(Cc3cccc(O)c3)CC2)ncn1
InChIInChI=1S/C17H22N4O2/c1-2-23-17-11-16(18-13-19-17)21-8-6-20(7-9-21)12-14-4-3-5-15(22)10-14/h3-5,10-11,13,22H,2,6-9,12H2,1H3
InChIKeyUOYDYZCESXYRED-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds5

About 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol

3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol (PubChem CID 86795904) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
PubChem CID86795904
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
SMILESCCOc1cc(N2CCN(Cc3cccc(O)c3)CC2)ncn1
InChIInChI=1S/C17H22N4O2/c1-2-23-17-11-16(18-13-19-17)21-8-6-20(7-9-21)12-14-4-3-5-15(22)10-14/h3-5,10-11,13,22H,2,6-9,12H2,1H3
InChIKeyUOYDYZCESXYRED-UHFFFAOYSA-N
XLogP1.90
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
4-[[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 91660988
(4-benzylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
CID 121167503
1-(2-chloroethyl)-4-(6-ethoxypyrimidin-4-yl)-1,4-diazepane
CID 66331346
2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 66318119
3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol
CID 84584722
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
CID 75510031
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol (CID 86795904) is 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol is CCOc1cc(N2CCN(Cc3cccc(O)c3)CC2)ncn1.
What is the InChIKey of 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
The InChIKey is UOYDYZCESXYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-23-17-11-16(18-13-19-17)21-8-6-20(7-9-21)12-14-4-3-5-15(22)10-14/h3-5,10-11,13,22H,2,6-9,12H2,1H3.
What are the key properties of 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol has a molecular weight of 314.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 86795904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).