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

C15H30Cl2N2 — CID 69431212

IUPAC1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride
SMILESCC(C)=CC(C1CCCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H28N2.2ClH/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;2*1H
InChIKeyBLGGYTYXTZDNLW-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.65
Rot. Bonds3

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

1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride (PubChem CID 69431212) has the molecular formula C15H30Cl2N2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride
PubChem CID69431212
Molecular FormulaC15H30Cl2N2
Molecular Weight309.32 g/mol
Exact Mass308.18
IUPAC Name1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride
SMILESCC(C)=CC(C1CCCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H28N2.2ClH/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;2*1H
InChIKeyBLGGYTYXTZDNLW-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.65
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;dihydrochloride?
The IUPAC name of 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride (CID 69431212) is 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride is CC(C)=CC(C1CCCCC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride?
The InChIKey is BLGGYTYXTZDNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.2ClH/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;2*1H.
What are the key properties of 1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride?
1-(1-cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride has a molecular weight of 309.32 g/mol, XLogP of 3.65, 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;dihydrochloride is sourced from PubChem (CID 69431212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).