2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol

C20H34N2O2 — CID 98575533

IUPAC2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(CC(C)C)C[C@H]2CCO)c(C)c1C
InChIInChI=1S/C20H34N2O2/c1-15(2)12-21-9-10-22(19(14-21)8-11-23)13-18-6-7-20(24-5)17(4)16(18)3/h6-7,15,19,23H,8-14H2,1-5H3/t19-/m1/s1
InChIKeyGROSRWYDWQZNSW-LJQANCHMSA-N
MW334.50 g/mol
LogP2.84
Rot. Bonds7

About 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 98575533) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID98575533
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(CC(C)C)C[C@H]2CCO)c(C)c1C
InChIInChI=1S/C20H34N2O2/c1-15(2)12-21-9-10-22(19(14-21)8-11-23)13-18-6-7-20(24-5)17(4)16(18)3/h6-7,15,19,23H,8-14H2,1-5H3/t19-/m1/s1
InChIKeyGROSRWYDWQZNSW-LJQANCHMSA-N
XLogP2.84
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28954845
2-[4-[(3,5-difluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45178650
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45252298
2-[[3-(2-hydroxyethyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 45203708
2-[4-[(2,5-difluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45207850
2-[(2R)-4-[(2,5-difluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 98576694
2-[4-[(3-fluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45193258
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51622379
methyl 4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 45228984
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 70779571
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol (CID 98575533) is 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol is COc1ccc(CN2CCN(CC(C)C)C[C@H]2CCO)c(C)c1C.
What is the InChIKey of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is GROSRWYDWQZNSW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-15(2)12-21-9-10-22(19(14-21)8-11-23)13-18-6-7-20(24-5)17(4)16(18)3/h6-7,15,19,23H,8-14H2,1-5H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 334.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98575533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).