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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Related Compounds

Phencyclidine
CID 6468
Cinnarizine
CID 1547484
Cyclizine
CID 6726
Buclizine
CID 6729
Flunarizine
CID 941361
Benzphetamine
CID 5311017
Budipine
CID 68778
Phencyclidine Hydrochloride
CID 9795678
Flunarizine Hydrochloride
CID 5282407
Buclizine Hydrochloride
CID 65463
Cyclizine Hydrochloride
CID 6420019
Benzhydrylpiperazine
CID 70048

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).