Zipeprol

C23H32N2O3 — CID 36910

IUPAC1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol
SMILESCOC(CN1CCN(CC1)CC(C(C2=CC=CC=C2)OC)O)C3=CC=CC=C3
InChIInChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3
InChIKeyVSTNNAYSCJQCQI-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.20
Rot. Bonds9

About Zipeprol

Zipeprol (PubChem CID 36910) has the molecular formula C23H32N2O3 and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol.

Molecular Properties

Compound NameZipeprol
PubChem CID36910
Molecular FormulaC23H32N2O3
Molecular Weight384.50 g/mol
Exact Mass384.24
IUPAC Name1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol
SMILESCOC(CN1CCN(CC1)CC(C(C2=CC=CC=C2)OC)O)C3=CC=CC=C3
InChIInChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3
InChIKeyVSTNNAYSCJQCQI-UHFFFAOYSA-N
XLogP2.20
TPSA45.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity416

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037
Eprozinol
CID 122553
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-phenyl-propan-1-ol
CID 401916
Difeterol
CID 208836
(2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-ol
CID 10479666
4-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-2-phenylbutan-2-ol
CID 20443021
2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethanol
CID 223284
2-(4-Benzylpiperazino)-1-phenyl-1-ethanol
CID 2767001
4-Morpholineethanol, alpha-((phenylmethoxy)methyl)-
CID 2817987
(1S)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-ol
CID 10027543
(1R)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-ol
CID 10096087

Frequently Asked Questions

What is the IUPAC name of Zipeprol?
The IUPAC name of Zipeprol (CID 36910) is 1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol.
What is the SMILES notation for Zipeprol?
The canonical SMILES for Zipeprol is COC(CN1CCN(CC1)CC(C(C2=CC=CC=C2)OC)O)C3=CC=CC=C3.
What is the InChIKey of Zipeprol?
The InChIKey is VSTNNAYSCJQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3.
What are the key properties of Zipeprol?
Zipeprol has a molecular weight of 384.50 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Zipeprol is sourced from PubChem (CID 36910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).