1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol

C26H30N2O — CID 12505416

IUPAC1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESOC(c1ccccc1)C(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H30N2O/c29-26(24-14-8-3-9-15-24)25(23-12-6-2-7-13-23)28-20-18-27(19-21-28)17-16-22-10-4-1-5-11-22/h1-15,25-26,29H,16-21H2
InChIKeyRFKXNDDAXMWNQB-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.32
Rot. Bonds7

About 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol

1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (PubChem CID 12505416) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
PubChem CID12505416
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESOC(c1ccccc1)C(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H30N2O/c29-26(24-14-8-3-9-15-24)25(23-12-6-2-7-13-23)28-20-18-27(19-21-28)17-16-22-10-4-1-5-11-22/h1-15,25-26,29H,16-21H2
InChIKeyRFKXNDDAXMWNQB-UHFFFAOYSA-N
XLogP4.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (CID 12505416) is 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is OC(c1ccccc1)C(c1ccccc1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The InChIKey is RFKXNDDAXMWNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c29-26(24-14-8-3-9-15-24)25(23-12-6-2-7-13-23)28-20-18-27(19-21-28)17-16-22-10-4-1-5-11-22/h1-15,25-26,29H,16-21H2.
What are the key properties of 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol has a molecular weight of 386.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 12505416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).