1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine

C26H36N2 — CID 71410535

IUPAC1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine
SMILESCC(C)(c1ccccc1)C(c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H36N2/c1-26(2,23-14-8-4-9-15-23)25(22-12-6-3-7-13-22)28-20-18-27(19-21-28)24-16-10-5-11-17-24/h3-4,6-9,12-15,24-25H,5,10-11,16-21H2,1-2H3
InChIKeyNTKWBNYVSDEJGF-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.66
Rot. Bonds5

About 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine

1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine (PubChem CID 71410535) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine
PubChem CID71410535
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine
SMILESCC(C)(c1ccccc1)C(c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H36N2/c1-26(2,23-14-8-4-9-15-23)25(22-12-6-3-7-13-22)28-20-18-27(19-21-28)24-16-10-5-11-17-24/h3-4,6-9,12-15,24-25H,5,10-11,16-21H2,1-2H3
InChIKeyNTKWBNYVSDEJGF-UHFFFAOYSA-N
XLogP5.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine (CID 71410535) is 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine is CC(C)(c1ccccc1)C(c1ccccc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine?
The InChIKey is NTKWBNYVSDEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-26(2,23-14-8-4-9-15-23)25(22-12-6-3-7-13-22)28-20-18-27(19-21-28)24-16-10-5-11-17-24/h3-4,6-9,12-15,24-25H,5,10-11,16-21H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine?
1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine has a molecular weight of 376.59 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine is sourced from PubChem (CID 71410535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).