1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium

C25H29N2+ — CID 7441235

IUPAC1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
SMILESCc1ccc(C)c(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C25H28N2/c1-20-8-9-21(2)25(18-20)27-16-14-26(15-17-27)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3/p+1
InChIKeyKFNAGRQLJNKEHU-UHFFFAOYSA-O
MW357.52 g/mol
LogP3.88
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium

1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium (PubChem CID 7441235) has the molecular formula C25H29N2+ and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
PubChem CID7441235
Molecular FormulaC25H29N2+
Molecular Weight357.52 g/mol
Exact Mass357.23
IUPAC Name1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
SMILESCc1ccc(C)c(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C25H28N2/c1-20-8-9-21(2)25(18-20)27-16-14-26(15-17-27)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3/p+1
InChIKeyKFNAGRQLJNKEHU-UHFFFAOYSA-O
XLogP3.88
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium
CID 7440851
1-(2,5-dimethylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium
CID 7440725
N-[4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
CID 6942850
1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7047568
2,6-ditert-butyl-4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 2244823
2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol
CID 7440971
2-[4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione
CID 6999506
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium
CID 6938160
1-(4-nitrophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7060405
1-(2,5-dimethylphenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-4-ium
CID 7389278
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium (CID 7441235) is 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium is Cc1ccc(C)c(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
The InChIKey is KFNAGRQLJNKEHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H28N2/c1-20-8-9-21(2)25(18-20)27-16-14-26(15-17-27)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3/p+1.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium has a molecular weight of 357.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium is sourced from PubChem (CID 7441235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).