1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol

C34H36N2O2 — CID 162661105

IUPAC1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESC/C(=C(/c1ccccc1)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C34H36N2O2/c1-27(28-11-5-2-6-12-28)34(29-13-7-3-8-14-29)30-17-19-33(20-18-30)38-26-32(37)25-35-21-23-36(24-22-35)31-15-9-4-10-16-31/h2-20,32,37H,21-26H2,1H3/b34-27+
InChIKeySISGLKUXCHPGFV-DNGXXSEMSA-N
MW504.67 g/mol
LogP6.23
Rot. Bonds9

About 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 162661105) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID162661105
Molecular FormulaC34H36N2O2
Molecular Weight504.67 g/mol
Exact Mass504.28
IUPAC Name1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESC/C(=C(/c1ccccc1)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C34H36N2O2/c1-27(28-11-5-2-6-12-28)34(29-13-7-3-8-14-29)30-17-19-33(20-18-30)38-26-32(37)25-35-21-23-36(24-22-35)31-15-9-4-10-16-31/h2-20,32,37H,21-26H2,1H3/b34-27+
InChIKeySISGLKUXCHPGFV-DNGXXSEMSA-N
XLogP6.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 162661105) is 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol is C/C(=C(/c1ccccc1)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is SISGLKUXCHPGFV-DNGXXSEMSA-N. The full InChI is InChI=1S/C34H36N2O2/c1-27(28-11-5-2-6-12-28)34(29-13-7-3-8-14-29)30-17-19-33(20-18-30)38-26-32(37)25-35-21-23-36(24-22-35)31-15-9-4-10-16-31/h2-20,32,37H,21-26H2,1H3/b34-27+.
What are the key properties of 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 504.67 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-1,2-diphenylprop-1-enyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 162661105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).