4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol

C26H28N2O — CID 54225974

IUPAC4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol
SMILESOc1ccc(C=CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O/c29-25-15-13-22(14-16-25)8-7-17-27-18-20-28(21-19-27)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,26,29H,17-21H2
InChIKeyQFWMZESBHJUDQQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.81
Rot. Bonds6

About 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol

4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol (PubChem CID 54225974) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol
PubChem CID54225974
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol
SMILESOc1ccc(C=CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O/c29-25-15-13-22(14-16-25)8-7-17-27-18-20-28(21-19-27)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,26,29H,17-21H2
InChIKeyQFWMZESBHJUDQQ-UHFFFAOYSA-N
XLogP4.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol?
The IUPAC name of 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol (CID 54225974) is 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol?
The canonical SMILES for 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol is Oc1ccc(C=CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol?
The InChIKey is QFWMZESBHJUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c29-25-15-13-22(14-16-25)8-7-17-27-18-20-28(21-19-27)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,26,29H,17-21H2.
What are the key properties of 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol?
4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol has a molecular weight of 384.52 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol is sourced from PubChem (CID 54225974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).