(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol

C18H24N4O3 — CID 95049270

IUPAC(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
SMILESCOc1ccc([C@@H](O)CN2CCN(c3nccc(OC)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-24-15-5-3-14(4-6-15)16(23)13-21-9-11-22(12-10-21)18-19-8-7-17(20-18)25-2/h3-8,16,23H,9-13H2,1-2H3/t16-/m0/s1
InChIKeyTUHGLDXAMSXPTI-INIZCTEOSA-N
MW344.42 g/mol
LogP1.35
Rot. Bonds6

About (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol

(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol (PubChem CID 95049270) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
PubChem CID95049270
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
SMILESCOc1ccc([C@@H](O)CN2CCN(c3nccc(OC)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-24-15-5-3-14(4-6-15)16(23)13-21-9-11-22(12-10-21)18-19-8-7-17(20-18)25-2/h3-8,16,23H,9-13H2,1-2H3/t16-/m0/s1
InChIKeyTUHGLDXAMSXPTI-INIZCTEOSA-N
XLogP1.35
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol with MolForge

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Related Compounds

(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 18095536
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-methoxyphenyl)ethanol
CID 62407126
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol (CID 95049270) is (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol is COc1ccc([C@@H](O)CN2CCN(c3nccc(OC)n3)CC2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is TUHGLDXAMSXPTI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-15-5-3-14(4-6-15)16(23)13-21-9-11-22(12-10-21)18-19-8-7-17(20-18)25-2/h3-8,16,23H,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol?
(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 344.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 95049270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).