2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol

C17H24N4O — CID 98596791

IUPAC2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccccc2-c2ncc[nH]2)C[C@H]1CCO
InChIInChI=1S/C17H24N4O/c1-20-9-10-21(13-15(20)6-11-22)12-14-4-2-3-5-16(14)17-18-7-8-19-17/h2-5,7-8,15,22H,6,9-13H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyUQSJAWDITWDESI-OAHLLOKOSA-N
MW300.41 g/mol
LogP1.58
Rot. Bonds5

About 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol

2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 98596791) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID98596791
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccccc2-c2ncc[nH]2)C[C@H]1CCO
InChIInChI=1S/C17H24N4O/c1-20-9-10-21(13-15(20)6-11-22)12-14-4-2-3-5-16(14)17-18-7-8-19-17/h2-5,7-8,15,22H,6,9-13H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyUQSJAWDITWDESI-OAHLLOKOSA-N
XLogP1.58
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-imidazol-2-yl)phenyl]methanol
CID 54081876
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CID 92770253
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
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2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol (CID 98596791) is 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2ccccc2-c2ncc[nH]2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is UQSJAWDITWDESI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-9-10-21(13-15(20)6-11-22)12-14-4-2-3-5-16(14)17-18-7-8-19-17/h2-5,7-8,15,22H,6,9-13H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol?
2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 300.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 98596791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).