1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine

C24H26N2 — CID 71602640

IUPAC1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2/c1-20-11-13-23(14-12-20)26-17-15-25(16-18-26)19-22-9-5-6-10-24(22)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3
InChIKeyLLJUUVAHWAOVBB-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.98
Rot. Bonds4

About 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine

1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine (PubChem CID 71602640) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
PubChem CID71602640
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2/c1-20-11-13-23(14-12-20)26-17-15-25(16-18-26)19-22-9-5-6-10-24(22)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3
InChIKeyLLJUUVAHWAOVBB-UHFFFAOYSA-N
XLogP4.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Mianserin
CID 4184
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Mianserin Hydrochloride
CID 68551
N,N,N',N'-Tetramethylbenzidine
CID 9702
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bS)-
CID 154315
Phenbenzamine
CID 13751
1-(Naphthalen-2-yl)piperazine
CID 2760172
Michler's ethylene
CID 81995
Phenbenzamine hydrochloride
CID 24180706

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine (CID 71602640) is 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine is Cc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The InChIKey is LLJUUVAHWAOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-20-11-13-23(14-12-20)26-17-15-25(16-18-26)19-22-9-5-6-10-24(22)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine has a molecular weight of 342.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 71602640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).