1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine

C25H28N2O — CID 71678171

IUPAC1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-2-28-25-15-9-8-14-24(25)27-18-16-26(17-19-27)20-22-12-6-7-13-23(22)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3
InChIKeyKBFMLDFKMYHWRP-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.07
Rot. Bonds6

About 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine

1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine (PubChem CID 71678171) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
PubChem CID71678171
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-2-28-25-15-9-8-14-24(25)27-18-16-26(17-19-27)20-22-12-6-7-13-23(22)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3
InChIKeyKBFMLDFKMYHWRP-UHFFFAOYSA-N
XLogP5.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
CID 11186738
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812423
6-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 4816117
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903657
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903659

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine (CID 71678171) is 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine is CCOc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The InChIKey is KBFMLDFKMYHWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-2-28-25-15-9-8-14-24(25)27-18-16-26(17-19-27)20-22-12-6-7-13-23(22)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine has a molecular weight of 372.51 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 71678171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).