2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol

C24H30N2O3 — CID 51633509

IUPAC2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCOc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCN(C)[C@@H](CCO)C1
InChIInChI=1S/C24H30N2O3/c1-17-24(18-7-5-4-6-8-18)21-14-22(28-3)19(13-23(21)29-17)15-26-11-10-25(2)20(16-26)9-12-27/h4-8,13-14,20,27H,9-12,15-16H2,1-3H3/t20-/m0/s1
InChIKeyLIWIMJKTQGFECT-FQEVSTJZSA-N
MW394.52 g/mol
LogP3.92
Rot. Bonds6

About 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 51633509) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID51633509
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCOc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCN(C)[C@@H](CCO)C1
InChIInChI=1S/C24H30N2O3/c1-17-24(18-7-5-4-6-8-18)21-14-22(28-3)19(13-23(21)29-17)15-26-11-10-25(2)20(16-26)9-12-27/h4-8,13-14,20,27H,9-12,15-16H2,1-3H3/t20-/m0/s1
InChIKeyLIWIMJKTQGFECT-FQEVSTJZSA-N
XLogP3.92
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol with MolForge

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Related Compounds

(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol
CID 134714483
5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45206590
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 45190547
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008
2-[[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methyl]-3,5-dimethoxybenzoic acid
CID 74237934
cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium
CID 7463608
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 22674612
[4-(2-hydroxyethyl)piperazin-1-yl]-[2-(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)-3H-benzimidazol-5-yl]methanone
CID 59784962
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 51633509) is 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol is COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCN(C)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is LIWIMJKTQGFECT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-24(18-7-5-4-6-8-18)21-14-22(28-3)19(13-23(21)29-17)15-26-11-10-25(2)20(16-26)9-12-27/h4-8,13-14,20,27H,9-12,15-16H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 394.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 51633509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).