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

C24H38N4O2 — CID 51633723

IUPAC2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)n1
InChIInChI=1S/C24H38N4O2/c1-6-10-28-16-22(20(4)25-28)14-26-11-12-27(23(17-26)9-13-29)15-21-7-8-24(30-5)19(3)18(21)2/h7-8,16,23,29H,6,9-15,17H2,1-5H3/t23-/m0/s1
InChIKeyGKQYUBUCWIZREF-QHCPKHFHSA-N
MW414.59 g/mol
LogP3.30
Rot. Bonds9

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

2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 51633723) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID51633723
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)n1
InChIInChI=1S/C24H38N4O2/c1-6-10-28-16-22(20(4)25-28)14-26-11-12-27(23(17-26)9-13-29)15-21-7-8-24(30-5)19(3)18(21)2/h7-8,16,23,29H,6,9-15,17H2,1-5H3/t23-/m0/s1
InChIKeyGKQYUBUCWIZREF-QHCPKHFHSA-N
XLogP3.30
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008
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-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 70779571
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575533
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-[[3-(2-hydroxyethyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 45203708
2-[4-[(3-fluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45193258
2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45248150
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45252298
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45227496
methyl 4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 45228984

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 51633723) is 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CCCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)n1.
What is the InChIKey of 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is GKQYUBUCWIZREF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-6-10-28-16-22(20(4)25-28)14-26-11-12-27(23(17-26)9-13-29)15-21-7-8-24(30-5)19(3)18(21)2/h7-8,16,23,29H,6,9-15,17H2,1-5H3/t23-/m0/s1.
What are the key properties of 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 414.59 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51633723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).