1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium

C13H25FN+ — CID 163176647

IUPAC1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium
SMILESCC1CCC[NH+](CC2CCCC(F)C2)C1
InChIInChI=1S/C13H24FN/c1-11-4-3-7-15(9-11)10-12-5-2-6-13(14)8-12/h11-13H,2-10H2,1H3/p+1
InChIKeyOXFDSDRIMRHNRD-UHFFFAOYSA-O
MW214.35 g/mol
LogP1.83
Rot. Bonds2

About 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium

1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium (PubChem CID 163176647) has the molecular formula C13H25FN+ and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium.

Molecular Properties

Compound Name1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium
PubChem CID163176647
Molecular FormulaC13H25FN+
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium
SMILESCC1CCC[NH+](CC2CCCC(F)C2)C1
InChIInChI=1S/C13H24FN/c1-11-4-3-7-15(9-11)10-12-5-2-6-13(14)8-12/h11-13H,2-10H2,1H3/p+1
InChIKeyOXFDSDRIMRHNRD-UHFFFAOYSA-O
XLogP1.83
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium?
The IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium (CID 163176647) is 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium.
What is the SMILES notation for 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium?
The canonical SMILES for 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium is CC1CCC[NH+](CC2CCCC(F)C2)C1.
What is the InChIKey of 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium?
The InChIKey is OXFDSDRIMRHNRD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24FN/c1-11-4-3-7-15(9-11)10-12-5-2-6-13(14)8-12/h11-13H,2-10H2,1H3/p+1.
What are the key properties of 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium?
1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium has a molecular weight of 214.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium is sourced from PubChem (CID 163176647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).