1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine

C29H34N2O — CID 122688760

IUPAC1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CCC3CC(c4ccccc4)(c4ccccc4)CO3)CC2)cc1
InChIInChI=1S/C29H34N2O/c1-24-12-14-27(15-13-24)31-20-18-30(19-21-31)17-16-28-22-29(23-32-28,25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-23H2,1H3
InChIKeySKPQLSJCSIFDOZ-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.28
Rot. Bonds6

About 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine

1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine (PubChem CID 122688760) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine
PubChem CID122688760
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CCC3CC(c4ccccc4)(c4ccccc4)CO3)CC2)cc1
InChIInChI=1S/C29H34N2O/c1-24-12-14-27(15-13-24)31-20-18-30(19-21-31)17-16-28-22-29(23-32-28,25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-23H2,1H3
InChIKeySKPQLSJCSIFDOZ-UHFFFAOYSA-N
XLogP5.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine (CID 122688760) is 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(CCC3CC(c4ccccc4)(c4ccccc4)CO3)CC2)cc1.
What is the InChIKey of 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine?
The InChIKey is SKPQLSJCSIFDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c1-24-12-14-27(15-13-24)31-20-18-30(19-21-31)17-16-28-22-29(23-32-28,25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-23H2,1H3.
What are the key properties of 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine?
1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine has a molecular weight of 426.60 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 122688760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).