1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine

C23H28N2 — CID 158989412

IUPAC1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine
SMILESCc1ccc(C23CC(CN4CCN(c5ccccc5)CC4)(C2)C3)cc1
InChIInChI=1S/C23H28N2/c1-19-7-9-20(10-8-19)23-15-22(16-23,17-23)18-24-11-13-25(14-12-24)21-5-3-2-4-6-21/h2-10H,11-18H2,1H3
InChIKeyFLXQEOBFUCIUOH-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.24
Rot. Bonds4

About 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine

1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine (PubChem CID 158989412) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine
PubChem CID158989412
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine
SMILESCc1ccc(C23CC(CN4CCN(c5ccccc5)CC4)(C2)C3)cc1
InChIInChI=1S/C23H28N2/c1-19-7-9-20(10-8-19)23-15-22(16-23,17-23)18-24-11-13-25(14-12-24)21-5-3-2-4-6-21/h2-10H,11-18H2,1H3
InChIKeyFLXQEOBFUCIUOH-UHFFFAOYSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine (CID 158989412) is 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine is Cc1ccc(C23CC(CN4CCN(c5ccccc5)CC4)(C2)C3)cc1.
What is the InChIKey of 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine?
The InChIKey is FLXQEOBFUCIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-19-7-9-20(10-8-19)23-15-22(16-23,17-23)18-24-11-13-25(14-12-24)21-5-3-2-4-6-21/h2-10H,11-18H2,1H3.
What are the key properties of 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine?
1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine has a molecular weight of 332.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 158989412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).