1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine

C25H36N2 — CID 11405872

IUPAC1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine
SMILESc1ccc2c(CCCCCN3CCN(C4CCCCC4)CC3)cccc2c1
InChIInChI=1S/C25H36N2/c1-4-14-24(15-5-1)27-20-18-26(19-21-27)17-8-2-3-10-22-12-9-13-23-11-6-7-16-25(22)23/h6-7,9,11-13,16,24H,1-5,8,10,14-15,17-21H2
InChIKeyFQCAQPNDTPKFEZ-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.50
Rot. Bonds7

About 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine

1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine (PubChem CID 11405872) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine
PubChem CID11405872
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine
SMILESc1ccc2c(CCCCCN3CCN(C4CCCCC4)CC3)cccc2c1
InChIInChI=1S/C25H36N2/c1-4-14-24(15-5-1)27-20-18-26(19-21-27)17-8-2-3-10-22-12-9-13-23-11-6-7-16-25(22)23/h6-7,9,11-13,16,24H,1-5,8,10,14-15,17-21H2
InChIKeyFQCAQPNDTPKFEZ-UHFFFAOYSA-N
XLogP5.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine (CID 11405872) is 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine is c1ccc2c(CCCCCN3CCN(C4CCCCC4)CC3)cccc2c1.
What is the InChIKey of 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine?
The InChIKey is FQCAQPNDTPKFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2/c1-4-14-24(15-5-1)27-20-18-26(19-21-27)17-8-2-3-10-22-12-9-13-23-11-6-7-16-25(22)23/h6-7,9,11-13,16,24H,1-5,8,10,14-15,17-21H2.
What are the key properties of 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine?
1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine has a molecular weight of 364.58 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5-naphthalen-1-ylpentyl)piperazine is sourced from PubChem (CID 11405872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).