2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol

C26H30N2O2 — CID 12505335

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol
SMILESCOc1ccc(CN2CCN(C(c3ccccc3)C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O2/c1-30-24-14-12-21(13-15-24)20-27-16-18-28(19-17-27)25(22-8-4-2-5-9-22)26(29)23-10-6-3-7-11-23/h2-15,25-26,29H,16-20H2,1H3
InChIKeyLYTUIICOBLXIQR-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.29
Rot. Bonds7

About 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol (PubChem CID 12505335) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol
PubChem CID12505335
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol
SMILESCOc1ccc(CN2CCN(C(c3ccccc3)C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O2/c1-30-24-14-12-21(13-15-24)20-27-16-18-28(19-17-27)25(22-8-4-2-5-9-22)26(29)23-10-6-3-7-11-23/h2-15,25-26,29H,16-20H2,1H3
InChIKeyLYTUIICOBLXIQR-UHFFFAOYSA-N
XLogP4.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol (CID 12505335) is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol is COc1ccc(CN2CCN(C(c3ccccc3)C(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol?
The InChIKey is LYTUIICOBLXIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-30-24-14-12-21(13-15-24)20-27-16-18-28(19-17-27)25(22-8-4-2-5-9-22)26(29)23-10-6-3-7-11-23/h2-15,25-26,29H,16-20H2,1H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol?
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol has a molecular weight of 402.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol is sourced from PubChem (CID 12505335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).