2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

C23H28N2O2 — CID 23723439

IUPAC2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1
InChIInChI=1S/C23H28N2O2/c1-18-6-8-19(9-7-18)15-25-12-11-24(16-21(25)10-13-26)17-22-14-20-4-2-3-5-23(20)27-22/h2-9,14,21,26H,10-13,15-17H2,1H3
InChIKeyLECBLZCDJKUKLY-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.81
Rot. Bonds6

About 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723439) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723439
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1
InChIInChI=1S/C23H28N2O2/c1-18-6-8-19(9-7-18)15-25-12-11-24(16-21(25)10-13-26)17-22-14-20-4-2-3-5-23(20)27-22/h2-9,14,21,26H,10-13,15-17H2,1H3
InChIKeyLECBLZCDJKUKLY-UHFFFAOYSA-N
XLogP3.81
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45213908
2-[(2R)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 100579221
2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51634602
1-[3-[[(3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 93233365
2-[(2R)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 98566789
2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28730365
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 126460832
2-[[(3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 98573625
4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914619
2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-methoxyphenol
CID 29087860
2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45198634
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45217777

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 23723439) is 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LECBLZCDJKUKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-6-8-19(9-7-18)15-25-12-11-24(16-21(25)10-13-26)17-22-14-20-4-2-3-5-23(20)27-22/h2-9,14,21,26H,10-13,15-17H2,1H3.
What are the key properties of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 364.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).