(2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine

C24H34N2O2 — CID 21127167

IUPAC(2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine
SMILESC[C@@H]1CN(CCOCCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1C
InChIInChI=1S/C24H34N2O2/c1-20-19-26(21(2)18-25(20)3)14-15-27-16-17-28-24(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24H,14-19H2,1-3H3/t20-,21+/m1/s1
InChIKeyNOCMEDZBNWJQDQ-RTWAWAEBSA-N
MW382.55 g/mol
LogP3.83
Rot. Bonds9

About (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine

(2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine (PubChem CID 21127167) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine
PubChem CID21127167
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name(2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine
SMILESC[C@@H]1CN(CCOCCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1C
InChIInChI=1S/C24H34N2O2/c1-20-19-26(21(2)18-25(20)3)14-15-27-16-17-28-24(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24H,14-19H2,1-3H3/t20-,21+/m1/s1
InChIKeyNOCMEDZBNWJQDQ-RTWAWAEBSA-N
XLogP3.83
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine?
The IUPAC name of (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine (CID 21127167) is (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine.
What is the SMILES notation for (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine?
The canonical SMILES for (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine is C[C@@H]1CN(CCOCCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1C.
What is the InChIKey of (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine?
The InChIKey is NOCMEDZBNWJQDQ-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-20-19-26(21(2)18-25(20)3)14-15-27-16-17-28-24(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24H,14-19H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine?
(2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine has a molecular weight of 382.55 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine is sourced from PubChem (CID 21127167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).