1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine

C24H34N2 — CID 11416825

IUPAC1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine
SMILESc1ccc2c(CCCCN3CCN(C4CCCCC4)CC3)cccc2c1
InChIInChI=1S/C24H34N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,8-9,11-12,15,23H,1-3,6-7,10,13-14,16-20H2
InChIKeyXKQYNHNOTJXFNU-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.11
Rot. Bonds6

About 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine

1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine (PubChem CID 11416825) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine
PubChem CID11416825
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine
SMILESc1ccc2c(CCCCN3CCN(C4CCCCC4)CC3)cccc2c1
InChIInChI=1S/C24H34N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,8-9,11-12,15,23H,1-3,6-7,10,13-14,16-20H2
InChIKeyXKQYNHNOTJXFNU-UHFFFAOYSA-N
XLogP5.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.11
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-(4-naphthalen-1-ylbutyl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine (CID 11416825) is 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine is c1ccc2c(CCCCN3CCN(C4CCCCC4)CC3)cccc2c1.
What is the InChIKey of 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine?
The InChIKey is XKQYNHNOTJXFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,8-9,11-12,15,23H,1-3,6-7,10,13-14,16-20H2.
What are the key properties of 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine?
1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine has a molecular weight of 350.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-naphthalen-1-ylbutyl)piperazine is sourced from PubChem (CID 11416825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).