1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine

C24H26N2 — CID 71602639

IUPAC1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C24H26N2/c1-20-8-7-12-23(18-20)26-16-14-25(15-17-26)19-22-11-5-6-13-24(22)21-9-3-2-4-10-21/h2-13,18H,14-17,19H2,1H3
InChIKeyPPTNARLFCSSMOS-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.98
Rot. Bonds4

About 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine

1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine (PubChem CID 71602639) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
PubChem CID71602639
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C24H26N2/c1-20-8-7-12-23(18-20)26-16-14-25(15-17-26)19-22-11-5-6-13-24(22)21-9-3-2-4-10-21/h2-13,18H,14-17,19H2,1H3
InChIKeyPPTNARLFCSSMOS-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

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Related Compounds

CID 4184
CID 4184
CID 67215
CID 67215
CID 72075
CID 72075
CID 69048
CID 69048
CID 68551
CID 68551
CID 154315
CID 154315
CID 1342
CID 1342
CID 13751
CID 13751
CID 2760172
CID 2760172
CID 2737391
CID 2737391
CID 24180706
CID 24180706
CID 120540
CID 120540

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine (CID 71602639) is 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine is Cc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The InChIKey is PPTNARLFCSSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-20-8-7-12-23(18-20)26-16-14-25(15-17-26)19-22-11-5-6-13-24(22)21-9-3-2-4-10-21/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 1-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
1-(3-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-(3-methylphenyl)-4-[(2-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 71602639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).