1,4-bis(2-benzhydryloxyethyl)piperazine

C34H38N2O2 — CID 3064081

IUPAC1,4-bis(2-benzhydryloxyethyl)piperazine
SMILESc1ccc(C(OCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)37-27-25-35-21-23-36(24-22-35)26-28-38-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,33-34H,21-28H2
InChIKeyOYZBDSAALZWYTR-UHFFFAOYSA-N
MW506.69 g/mol
LogP6.22
Rot. Bonds12

About 1,4-bis(2-benzhydryloxyethyl)piperazine

1,4-bis(2-benzhydryloxyethyl)piperazine (PubChem CID 3064081) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is 1,4-bis(2-benzhydryloxyethyl)piperazine.

Molecular Properties

Compound Name1,4-bis(2-benzhydryloxyethyl)piperazine
PubChem CID3064081
Molecular FormulaC34H38N2O2
Molecular Weight506.69 g/mol
Exact Mass506.29
IUPAC Name1,4-bis(2-benzhydryloxyethyl)piperazine
SMILESc1ccc(C(OCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)37-27-25-35-21-23-36(24-22-35)26-28-38-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,33-34H,21-28H2
InChIKeyOYZBDSAALZWYTR-UHFFFAOYSA-N
XLogP6.22
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-benzhydryloxyethyl)piperazine?
The IUPAC name of 1,4-bis(2-benzhydryloxyethyl)piperazine (CID 3064081) is 1,4-bis(2-benzhydryloxyethyl)piperazine.
What is the SMILES notation for 1,4-bis(2-benzhydryloxyethyl)piperazine?
The canonical SMILES for 1,4-bis(2-benzhydryloxyethyl)piperazine is c1ccc(C(OCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(2-benzhydryloxyethyl)piperazine?
The InChIKey is OYZBDSAALZWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)37-27-25-35-21-23-36(24-22-35)26-28-38-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,33-34H,21-28H2.
What are the key properties of 1,4-bis(2-benzhydryloxyethyl)piperazine?
1,4-bis(2-benzhydryloxyethyl)piperazine has a molecular weight of 506.69 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-benzhydryloxyethyl)piperazine is sourced from PubChem (CID 3064081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).