3-butyl-1-propylpiperidin-1-ium fluoride

C12H26FN — CID 171570345

IUPAC3-butyl-1-propylpiperidin-1-ium fluoride
SMILESCCCCC1CCC[NH+](CCC)C1.[F-]
InChIInChI=1S/C12H25N.FH/c1-3-5-7-12-8-6-10-13(11-12)9-4-2;/h12H,3-11H2,1-2H3;1H
InChIKeyIHJWEWYEJOXXAG-UHFFFAOYSA-N
MW203.34 g/mol
LogP-1.11
Rot. Bonds5

About 3-butyl-1-propylpiperidin-1-ium fluoride

3-butyl-1-propylpiperidin-1-ium fluoride (PubChem CID 171570345) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is 3-butyl-1-propylpiperidin-1-ium fluoride.

Molecular Properties

Compound Name3-butyl-1-propylpiperidin-1-ium fluoride
PubChem CID171570345
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC Name3-butyl-1-propylpiperidin-1-ium fluoride
SMILESCCCCC1CCC[NH+](CCC)C1.[F-]
InChIInChI=1S/C12H25N.FH/c1-3-5-7-12-8-6-10-13(11-12)9-4-2;/h12H,3-11H2,1-2H3;1H
InChIKeyIHJWEWYEJOXXAG-UHFFFAOYSA-N
XLogP-1.11
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-butyl-1-propylpiperidin-1-ium cyanide
CID 171570482
3-butyl-1-pentylpiperidin-1-ium chloride
CID 171570455
1,3-di(icosyl)piperidin-1-ium bromide
CID 162511793
1,3-di(nonadecyl)piperidin-1-ium chloride
CID 162511824
1,3-di(nonyl)piperidin-1-ium bromide
CID 162511915
1-butyl-3-ethylpiperidin-1-ium fluoride
CID 171571636
3-butyl-1-pentylpyrrolidin-1-ium fluoride
CID 171570680
1-hexyl-3-propylpiperidin-1-ium chloride
CID 171571494
3-butyl-1-octylpyrrolidin-1-ium fluoride
CID 171571275
3-butyl-1-undecylpyrrolidin-1-ium chloride
CID 171571284
3-ethyl-1-hexylpiperidin-1-ium cyanide
CID 171569610
1-dodecyl-3-ethylpiperidin-1-ium cyanide
CID 171569818

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-propylpiperidin-1-ium fluoride?
The IUPAC name of 3-butyl-1-propylpiperidin-1-ium fluoride (CID 171570345) is 3-butyl-1-propylpiperidin-1-ium fluoride.
What is the SMILES notation for 3-butyl-1-propylpiperidin-1-ium fluoride?
The canonical SMILES for 3-butyl-1-propylpiperidin-1-ium fluoride is CCCCC1CCC[NH+](CCC)C1.[F-].
What is the InChIKey of 3-butyl-1-propylpiperidin-1-ium fluoride?
The InChIKey is IHJWEWYEJOXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.FH/c1-3-5-7-12-8-6-10-13(11-12)9-4-2;/h12H,3-11H2,1-2H3;1H.
What are the key properties of 3-butyl-1-propylpiperidin-1-ium fluoride?
3-butyl-1-propylpiperidin-1-ium fluoride has a molecular weight of 203.34 g/mol, XLogP of -1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-propylpiperidin-1-ium fluoride is sourced from PubChem (CID 171570345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).