1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium

C19H25N2+ — CID 6942812

IUPAC1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium
SMILESCc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2/c1-17-7-9-19(10-8-17)21-15-13-20(14-16-21)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1
InChIKeyIUBPKAQOGIZZMD-UHFFFAOYSA-O
MW281.42 g/mol
LogP1.94
Rot. Bonds4

About 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium

1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium (PubChem CID 6942812) has the molecular formula C19H25N2+ and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium
PubChem CID6942812
Molecular FormulaC19H25N2+
Molecular Weight281.42 g/mol
Exact Mass281.20
IUPAC Name1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium
SMILESCc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2/c1-17-7-9-19(10-8-17)21-15-13-20(14-16-21)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1
InChIKeyIUBPKAQOGIZZMD-UHFFFAOYSA-O
XLogP1.94
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]aniline
CID 9161564
2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione
CID 8597983
1-[(E)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazin-1-ium
CID 6942733
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8591746
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
4-(2-phenylethyl)-N-propylpiperazin-4-ium-1-carbothioamide
CID 2225306
N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 6985411
1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
CID 4541365
1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 3453566
3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide
CID 4995663
4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545940

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium?
The IUPAC name of 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium (CID 6942812) is 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium.
What is the SMILES notation for 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium?
The canonical SMILES for 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium is Cc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium?
The InChIKey is IUBPKAQOGIZZMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2/c1-17-7-9-19(10-8-17)21-15-13-20(14-16-21)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1.
What are the key properties of 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium?
1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium has a molecular weight of 281.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium is sourced from PubChem (CID 6942812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).