1-cyclohexyl-1-prop-2-enylpiperazin-1-ium

C13H25N2+ — CID 90156150

IUPAC1-cyclohexyl-1-prop-2-enylpiperazin-1-ium
SMILESC=CC[N+]1(C2CCCCC2)CCNCC1
InChIInChI=1S/C13H25N2/c1-2-10-15(11-8-14-9-12-15)13-6-4-3-5-7-13/h2,13-14H,1,3-12H2/q+1
InChIKeyYPPUUNSKNPPNGM-UHFFFAOYSA-N
MW209.36 g/mol
LogP1.93
Rot. Bonds3

About 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium

1-cyclohexyl-1-prop-2-enylpiperazin-1-ium (PubChem CID 90156150) has the molecular formula C13H25N2+ and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium.

Molecular Properties

Compound Name1-cyclohexyl-1-prop-2-enylpiperazin-1-ium
PubChem CID90156150
Molecular FormulaC13H25N2+
Molecular Weight209.36 g/mol
Exact Mass209.20
IUPAC Name1-cyclohexyl-1-prop-2-enylpiperazin-1-ium
SMILESC=CC[N+]1(C2CCCCC2)CCNCC1
InChIInChI=1S/C13H25N2/c1-2-10-15(11-8-14-9-12-15)13-6-4-3-5-7-13/h2,13-14H,1,3-12H2/q+1
InChIKeyYPPUUNSKNPPNGM-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium?
The IUPAC name of 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium (CID 90156150) is 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium.
What is the SMILES notation for 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium?
The canonical SMILES for 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium is C=CC[N+]1(C2CCCCC2)CCNCC1.
What is the InChIKey of 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium?
The InChIKey is YPPUUNSKNPPNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2/c1-2-10-15(11-8-14-9-12-15)13-6-4-3-5-7-13/h2,13-14H,1,3-12H2/q+1.
What are the key properties of 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium?
1-cyclohexyl-1-prop-2-enylpiperazin-1-ium has a molecular weight of 209.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-prop-2-enylpiperazin-1-ium is sourced from PubChem (CID 90156150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).