1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine

C15H28N2 — CID 58786386

IUPAC1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine
SMILESCC(C)=CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C15H28N2/c1-13(2)12-15(14-6-4-3-5-7-14)17-10-8-16-9-11-17/h12,14-16H,3-11H2,1-2H3
InChIKeyKLSSMUCRJFTHFI-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.81
Rot. Bonds3

About 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine

1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine (PubChem CID 58786386) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine
PubChem CID58786386
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine
SMILESCC(C)=CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C15H28N2/c1-13(2)12-15(14-6-4-3-5-7-14)17-10-8-16-9-11-17/h12,14-16H,3-11H2,1-2H3
InChIKeyKLSSMUCRJFTHFI-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine?
The IUPAC name of 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine (CID 58786386) is 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine?
The canonical SMILES for 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine is CC(C)=CC(C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine?
The InChIKey is KLSSMUCRJFTHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)12-15(14-6-4-3-5-7-14)17-10-8-16-9-11-17/h12,14-16H,3-11H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine?
1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine has a molecular weight of 236.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 58786386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).