2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol

C27H32N2O2 — CID 10862638

IUPAC2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2O2/c30-22-26(23-10-4-1-5-11-23)29-18-16-28(17-19-29)20-21-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2
InChIKeyLJJAIBPYVXEBMX-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.14
Rot. Bonds9

About 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol

2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol (PubChem CID 10862638) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol
PubChem CID10862638
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2O2/c30-22-26(23-10-4-1-5-11-23)29-18-16-28(17-19-29)20-21-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2
InChIKeyLJJAIBPYVXEBMX-UHFFFAOYSA-N
XLogP4.14
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol?
The IUPAC name of 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol (CID 10862638) is 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol.
What is the SMILES notation for 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol?
The canonical SMILES for 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol is OCC(c1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol?
The InChIKey is LJJAIBPYVXEBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c30-22-26(23-10-4-1-5-11-23)29-18-16-28(17-19-29)20-21-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2.
What are the key properties of 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol?
2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol has a molecular weight of 416.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylethanol is sourced from PubChem (CID 10862638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).