1-(cyclohexylmethyl)-3-methylpiperidin-1-ium

C13H26N+ — CID 163117074

IUPAC1-(cyclohexylmethyl)-3-methylpiperidin-1-ium
SMILESCC1CCC[NH+](CC2CCCCC2)C1
InChIInChI=1S/C13H25N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3/p+1
InChIKeyJJSLBUHXTQFHCS-UHFFFAOYSA-O
MW196.36 g/mol
LogP1.88
Rot. Bonds2

About 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium

1-(cyclohexylmethyl)-3-methylpiperidin-1-ium (PubChem CID 163117074) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methylpiperidin-1-ium
PubChem CID163117074
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Name1-(cyclohexylmethyl)-3-methylpiperidin-1-ium
SMILESCC1CCC[NH+](CC2CCCCC2)C1
InChIInChI=1S/C13H25N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3/p+1
InChIKeyJJSLBUHXTQFHCS-UHFFFAOYSA-O
XLogP1.88
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium?
The IUPAC name of 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium (CID 163117074) is 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium is CC1CCC[NH+](CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium?
The InChIKey is JJSLBUHXTQFHCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3/p+1.
What are the key properties of 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium?
1-(cyclohexylmethyl)-3-methylpiperidin-1-ium has a molecular weight of 196.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methylpiperidin-1-ium is sourced from PubChem (CID 163117074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).