3-methyl-1-pentylpiperidin-1-ium fluoride

C11H24FN — CID 171569865

IUPAC3-methyl-1-pentylpiperidin-1-ium fluoride
SMILESCCCCC[NH+]1CCCC(C)C1.[F-]
InChIInChI=1S/C11H23N.FH/c1-3-4-5-8-12-9-6-7-11(2)10-12;/h11H,3-10H2,1-2H3;1H
InChIKeyPNBMSWOZMYWIGE-UHFFFAOYSA-N
MW189.32 g/mol
LogP-1.50
Rot. Bonds4

About 3-methyl-1-pentylpiperidin-1-ium fluoride

3-methyl-1-pentylpiperidin-1-ium fluoride (PubChem CID 171569865) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-methyl-1-pentylpiperidin-1-ium fluoride.

Molecular Properties

Compound Name3-methyl-1-pentylpiperidin-1-ium fluoride
PubChem CID171569865
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Name3-methyl-1-pentylpiperidin-1-ium fluoride
SMILESCCCCC[NH+]1CCCC(C)C1.[F-]
InChIInChI=1S/C11H23N.FH/c1-3-4-5-8-12-9-6-7-11(2)10-12;/h11H,3-10H2,1-2H3;1H
InChIKeyPNBMSWOZMYWIGE-UHFFFAOYSA-N
XLogP-1.50
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methyl-1-pentylpiperidin-1-ium fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(trifluoromethylsulfonyl)azanide;3-methyl-1-tetradecylpiperidin-1-ium
CID 156625546
bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylpiperidin-1-ium
CID 156625438
1-hexadecyl-3-methylpyrrolidin-1-ium tetrafluoroborate
CID 156625526
3-butyl-1-pentylpiperidin-1-ium chloride
CID 171570455
1,3-di(icosyl)piperidin-1-ium bromide
CID 162511793
1-hexyl-3-propylpiperidin-1-ium chloride
CID 171571494
1,3-di(nonadecyl)piperidin-1-ium chloride
CID 162511824
1,3-di(nonyl)piperidin-1-ium bromide
CID 162511915
1-heptyl-4-methylpiperidin-1-ium fluoride
CID 171570371
1-dodecyl-4-methylpiperidin-1-ium fluoride
CID 171570519
1-butyl-3-ethylpiperidin-1-ium fluoride
CID 171571636
3-butyl-1-propylpiperidin-1-ium fluoride
CID 171570345

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentylpiperidin-1-ium fluoride?
The IUPAC name of 3-methyl-1-pentylpiperidin-1-ium fluoride (CID 171569865) is 3-methyl-1-pentylpiperidin-1-ium fluoride.
What is the SMILES notation for 3-methyl-1-pentylpiperidin-1-ium fluoride?
The canonical SMILES for 3-methyl-1-pentylpiperidin-1-ium fluoride is CCCCC[NH+]1CCCC(C)C1.[F-].
What is the InChIKey of 3-methyl-1-pentylpiperidin-1-ium fluoride?
The InChIKey is PNBMSWOZMYWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.FH/c1-3-4-5-8-12-9-6-7-11(2)10-12;/h11H,3-10H2,1-2H3;1H.
What are the key properties of 3-methyl-1-pentylpiperidin-1-ium fluoride?
3-methyl-1-pentylpiperidin-1-ium fluoride has a molecular weight of 189.32 g/mol, XLogP of -1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentylpiperidin-1-ium fluoride is sourced from PubChem (CID 171569865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).