1-(2-benzhydryloxyethyl)-4-benzylpiperazine

C26H30N2O — CID 127026611

IUPAC1-(2-benzhydryloxyethyl)-4-benzylpiperazine
SMILESc1ccc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O/c1-4-10-23(11-5-1)22-28-18-16-27(17-19-28)20-21-29-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
InChIKeyWGZMEYJQURFGQU-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.61
Rot. Bonds8

About 1-(2-benzhydryloxyethyl)-4-benzylpiperazine

1-(2-benzhydryloxyethyl)-4-benzylpiperazine (PubChem CID 127026611) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-benzylpiperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-benzylpiperazine
PubChem CID127026611
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name1-(2-benzhydryloxyethyl)-4-benzylpiperazine
SMILESc1ccc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O/c1-4-10-23(11-5-1)22-28-18-16-27(17-19-28)20-21-29-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
InChIKeyWGZMEYJQURFGQU-UHFFFAOYSA-N
XLogP4.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenylpyraline
CID 3103
Nefopam
CID 4450
Vanoxerine
CID 3455
Dotarizine
CID 55285
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723
1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037
Chlorbenzoxamine
CID 71636
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5974189
Eprozinol
CID 122553
1-[2-(Diphenylmethoxy)ethyl]piperazine
CID 648525
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-phenyl-propan-1-ol
CID 401916

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine (CID 127026611) is 1-(2-benzhydryloxyethyl)-4-benzylpiperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-benzylpiperazine is c1ccc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?
The InChIKey is WGZMEYJQURFGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-4-10-23(11-5-1)22-28-18-16-27(17-19-28)20-21-29-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?
1-(2-benzhydryloxyethyl)-4-benzylpiperazine has a molecular weight of 386.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-benzylpiperazine is sourced from PubChem (CID 127026611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).