2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol

C23H29N5O — CID 92764853

IUPAC2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCc1ccccc1
InChIInChI=1S/C23H29N5O/c29-17-10-21-18-26(15-16-27(21)14-9-20-6-2-1-3-7-20)19-22-8-4-13-28(22)23-24-11-5-12-25-23/h1-8,11-13,21,29H,9-10,14-19H2/t21-/m1/s1
InChIKeyJKVZOAYYSSAHOQ-OAQYLSRUSA-N
MW391.52 g/mol
LogP2.38
Rot. Bonds8

About 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 92764853) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID92764853
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCc1ccccc1
InChIInChI=1S/C23H29N5O/c29-17-10-21-18-26(15-16-27(21)14-9-20-6-2-1-3-7-20)19-22-8-4-13-28(22)23-24-11-5-12-25-23/h1-8,11-13,21,29H,9-10,14-19H2/t21-/m1/s1
InChIKeyJKVZOAYYSSAHOQ-OAQYLSRUSA-N
XLogP2.38
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 98566069
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
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2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
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CID 29185332
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2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29029658
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[(2R)-1-[(2-fluorophenyl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol (CID 92764853) is 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCc1ccccc1.
What is the InChIKey of 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JKVZOAYYSSAHOQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N5O/c29-17-10-21-18-26(15-16-27(21)14-9-20-6-2-1-3-7-20)19-22-8-4-13-28(22)23-24-11-5-12-25-23/h1-8,11-13,21,29H,9-10,14-19H2/t21-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 391.52 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 92764853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).