1-(2-phenylmethoxy-3-trityloxypropyl)piperazine

C33H36N2O2 — CID 123176506

IUPAC1-(2-phenylmethoxy-3-trityloxypropyl)piperazine
SMILESc1ccc(COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN2CCNCC2)cc1
InChIInChI=1S/C33H36N2O2/c1-5-13-28(14-6-1)26-36-32(25-35-23-21-34-22-24-35)27-37-33(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,32,34H,21-27H2
InChIKeyUPNLUGVADJJGSY-UHFFFAOYSA-N
MW492.66 g/mol
LogP5.49
Rot. Bonds11

About 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine

1-(2-phenylmethoxy-3-trityloxypropyl)piperazine (PubChem CID 123176506) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine.

Molecular Properties

Compound Name1-(2-phenylmethoxy-3-trityloxypropyl)piperazine
PubChem CID123176506
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Name1-(2-phenylmethoxy-3-trityloxypropyl)piperazine
SMILESc1ccc(COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN2CCNCC2)cc1
InChIInChI=1S/C33H36N2O2/c1-5-13-28(14-6-1)26-36-32(25-35-23-21-34-22-24-35)27-37-33(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,32,34H,21-27H2
InChIKeyUPNLUGVADJJGSY-UHFFFAOYSA-N
XLogP5.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-(2-phenylmethoxy-3-trityloxypropyl)piperazine
CID 118166318
1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine
CID 14691986
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate
CID 86650226
azane;1-benzylpiperazine
CID 174866973
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143117253
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
4-[3-[4-[3-(4-cyanophenoxy)-2-phenylmethoxypropyl]-5-hydroxy-1,4-diazepan-1-yl]-2-phenylmethoxypropoxy]benzonitrile
CID 163704733
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660021
N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine
CID 140983467
3-fluoro-5-[[(2S)-1-trityloxyhexadecan-2-yl]oxymethyl]benzonitrile
CID 167477808

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine?
The IUPAC name of 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine (CID 123176506) is 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine.
What is the SMILES notation for 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine?
The canonical SMILES for 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine is c1ccc(COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN2CCNCC2)cc1.
What is the InChIKey of 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine?
The InChIKey is UPNLUGVADJJGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O2/c1-5-13-28(14-6-1)26-36-32(25-35-23-21-34-22-24-35)27-37-33(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,32,34H,21-27H2.
What are the key properties of 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine?
1-(2-phenylmethoxy-3-trityloxypropyl)piperazine has a molecular weight of 492.66 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxy-3-trityloxypropyl)piperazine is sourced from PubChem (CID 123176506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).