(2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine

C21H28N2O — CID 10687454

IUPAC(2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
InChIInChI=1S/C21H28N2O/c1-17-16-23(18(2)15-22-17)13-14-24-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17-,18+/m1/s1
InChIKeySMWLSBSKAOWHDQ-MSOLQXFVSA-N
MW324.47 g/mol
LogP3.47
Rot. Bonds6

About (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine

(2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine (PubChem CID 10687454) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine
PubChem CID10687454
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
InChIInChI=1S/C21H28N2O/c1-17-16-23(18(2)15-22-17)13-14-24-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17-,18+/m1/s1
InChIKeySMWLSBSKAOWHDQ-MSOLQXFVSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine 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

Diphenhydramine
CID 3100
Diphenhydramine Hydrochloride
CID 8980
Phenmetrazine
CID 4762
Diphenylpyraline
CID 3103
Phendimetrazine
CID 30487
Phenmetrazine Hydrochloride
CID 92159
Dexoxadrol
CID 3034023
Dioxadrol
CID 66270
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
Tofenacin
CID 25315
Bontril
CID 12460
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine?
The IUPAC name of (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine (CID 10687454) is (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine.
What is the SMILES notation for (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine?
The canonical SMILES for (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine is C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1.
What is the InChIKey of (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine?
The InChIKey is SMWLSBSKAOWHDQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-16-23(18(2)15-22-17)13-14-24-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine?
(2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine has a molecular weight of 324.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 10687454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).