(3S)-3-(2-methoxyethyl)-1-tritylpiperazine

C26H30N2O — CID 58758610

IUPAC(3S)-3-(2-methoxyethyl)-1-tritylpiperazine
SMILESCOCC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C26H30N2O/c1-29-20-17-25-21-28(19-18-27-25)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25,27H,17-21H2,1H3/t25-/m0/s1
InChIKeyCURURZYURWGLOR-VWLOTQADSA-N
MW386.54 g/mol
LogP4.29
Rot. Bonds7

About (3S)-3-(2-methoxyethyl)-1-tritylpiperazine

(3S)-3-(2-methoxyethyl)-1-tritylpiperazine (PubChem CID 58758610) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (3S)-3-(2-methoxyethyl)-1-tritylpiperazine.

Molecular Properties

Compound Name(3S)-3-(2-methoxyethyl)-1-tritylpiperazine
PubChem CID58758610
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(3S)-3-(2-methoxyethyl)-1-tritylpiperazine
SMILESCOCC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C26H30N2O/c1-29-20-17-25-21-28(19-18-27-25)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25,27H,17-21H2,1H3/t25-/m0/s1
InChIKeyCURURZYURWGLOR-VWLOTQADSA-N
XLogP4.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(2-methoxyethyl)-1-tritylpiperazine 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

Benzhydrylpiperazine
CID 70048
1-(1,2-Diphenylethyl)piperazine
CID 12263801
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
1-(1,3-Diphenylpropyl)piperazine
CID 44414840
biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 11450539
(6-Benzhydryl-piperidin-3-yl)-(4-fluoro-benzyl)-amine
CID 22250846
[2-(4-tert-Butyl-phenyl)-2-(4-cyclohexyl-piperazin-1-yl)-ethyl]-phenethyl-amine
CID 44401206
(2S)-N-benzyl-2-[(3S)-3-benzyl-4-(3,3-dimethylbutyl)piperazin-1-yl]-3-phenylpropan-1-amine
CID 146437797
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
(3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride
CID 73357219
2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
CID 90655535

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methoxyethyl)-1-tritylpiperazine?
The IUPAC name of (3S)-3-(2-methoxyethyl)-1-tritylpiperazine (CID 58758610) is (3S)-3-(2-methoxyethyl)-1-tritylpiperazine.
What is the SMILES notation for (3S)-3-(2-methoxyethyl)-1-tritylpiperazine?
The canonical SMILES for (3S)-3-(2-methoxyethyl)-1-tritylpiperazine is COCC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of (3S)-3-(2-methoxyethyl)-1-tritylpiperazine?
The InChIKey is CURURZYURWGLOR-VWLOTQADSA-N. The full InChI is InChI=1S/C26H30N2O/c1-29-20-17-25-21-28(19-18-27-25)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25,27H,17-21H2,1H3/t25-/m0/s1.
What are the key properties of (3S)-3-(2-methoxyethyl)-1-tritylpiperazine?
(3S)-3-(2-methoxyethyl)-1-tritylpiperazine has a molecular weight of 386.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methoxyethyl)-1-tritylpiperazine is sourced from PubChem (CID 58758610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).