1-butyl-1-pentylpiperidin-1-ium fluoride

C14H30FN — CID 171571240

IUPAC1-butyl-1-pentylpiperidin-1-ium fluoride
SMILESCCCCC[N+]1(CCCC)CCCCC1.[F-]
InChIInChI=1S/C14H30N.FH/c1-3-5-8-12-15(11-6-4-2)13-9-7-10-14-15;/h3-14H2,1-2H3;1H/q+1;/p-1
InChIKeyFVDLKLWCCPVGOO-UHFFFAOYSA-M
MW231.40 g/mol
LogP0.98
Rot. Bonds7

About 1-butyl-1-pentylpiperidin-1-ium fluoride

1-butyl-1-pentylpiperidin-1-ium fluoride (PubChem CID 171571240) has the molecular formula C14H30FN and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-butyl-1-pentylpiperidin-1-ium fluoride.

Molecular Properties

Compound Name1-butyl-1-pentylpiperidin-1-ium fluoride
PubChem CID171571240
Molecular FormulaC14H30FN
Molecular Weight231.40 g/mol
Exact Mass231.24
IUPAC Name1-butyl-1-pentylpiperidin-1-ium fluoride
SMILESCCCCC[N+]1(CCCC)CCCCC1.[F-]
InChIInChI=1S/C14H30N.FH/c1-3-5-8-12-15(11-6-4-2)13-9-7-10-14-15;/h3-14H2,1-2H3;1H/q+1;/p-1
InChIKeyFVDLKLWCCPVGOO-UHFFFAOYSA-M
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1,1-dioctylpiperidin-1-ium
CID 23148538
1-butyl-1-octylpyrrolidin-1-ium
CID 66835414
1-butyl-1-heptadecylpyrrolidin-1-ium
CID 69388710
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-pentylpiperidin-1-ium fluoride?
The IUPAC name of 1-butyl-1-pentylpiperidin-1-ium fluoride (CID 171571240) is 1-butyl-1-pentylpiperidin-1-ium fluoride.
What is the SMILES notation for 1-butyl-1-pentylpiperidin-1-ium fluoride?
The canonical SMILES for 1-butyl-1-pentylpiperidin-1-ium fluoride is CCCCC[N+]1(CCCC)CCCCC1.[F-].
What is the InChIKey of 1-butyl-1-pentylpiperidin-1-ium fluoride?
The InChIKey is FVDLKLWCCPVGOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30N.FH/c1-3-5-8-12-15(11-6-4-2)13-9-7-10-14-15;/h3-14H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-butyl-1-pentylpiperidin-1-ium fluoride?
1-butyl-1-pentylpiperidin-1-ium fluoride has a molecular weight of 231.40 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-pentylpiperidin-1-ium fluoride is sourced from PubChem (CID 171571240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).