1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine

C28H32N2O — CID 127027196

IUPAC1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine
SMILESc1ccc(CN2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C28H32N2O/c1-4-10-24(11-5-1)22-29-18-20-30(21-19-29)23-27-16-17-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
InChIKeyAHOQPKNCYXWBKI-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.93
Rot. Bonds6

About 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine

1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine (PubChem CID 127027196) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine
PubChem CID127027196
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine
SMILESc1ccc(CN2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C28H32N2O/c1-4-10-24(11-5-1)22-29-18-20-30(21-19-29)23-27-16-17-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
InChIKeyAHOQPKNCYXWBKI-UHFFFAOYSA-N
XLogP4.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine (CID 127027196) is 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine is c1ccc(CN2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine?
The InChIKey is AHOQPKNCYXWBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-4-10-24(11-5-1)22-29-18-20-30(21-19-29)23-27-16-17-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2.
What are the key properties of 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine?
1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine has a molecular weight of 412.58 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine is sourced from PubChem (CID 127027196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).