2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol

C32H34N2O2 — CID 10435214

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H34N2O2/c35-31(27-16-18-30(19-17-27)36-25-26-10-4-1-5-11-26)24-33-20-22-34(23-21-33)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31-32,35H,20-25H2
InChIKeyMAPNSBNZAPTWLU-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.71
Rot. Bonds9

About 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol

2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol (PubChem CID 10435214) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol
PubChem CID10435214
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H34N2O2/c35-31(27-16-18-30(19-17-27)36-25-26-10-4-1-5-11-26)24-33-20-22-34(23-21-33)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31-32,35H,20-25H2
InChIKeyMAPNSBNZAPTWLU-UHFFFAOYSA-N
XLogP5.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol (CID 10435214) is 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol is OC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol?
The InChIKey is MAPNSBNZAPTWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c35-31(27-16-18-30(19-17-27)36-25-26-10-4-1-5-11-26)24-33-20-22-34(23-21-33)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31-32,35H,20-25H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol?
2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol has a molecular weight of 478.64 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 10435214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).