1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride

C15H21ClFNO — CID 14640

IUPAC1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride
SMILESO=C(CCC[NH+]1CCCCC1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C15H20FNO.ClH/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17;/h6-9H,1-5,10-12H2;1H
InChIKeyINQANUMBIQJXPA-UHFFFAOYSA-N
MW285.79 g/mol
LogP-1.14
Rot. Bonds5

About 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride

1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride (PubChem CID 14640) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride
PubChem CID14640
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride
SMILESO=C(CCC[NH+]1CCCCC1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C15H20FNO.ClH/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17;/h6-9H,1-5,10-12H2;1H
InChIKeyINQANUMBIQJXPA-UHFFFAOYSA-N
XLogP-1.14
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride 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

1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride
CID 46743523
1-(4-fluorophenyl)-4-(4-methylpiperazine-1,4-diium-1-yl)butan-1-one dichloride
CID 44659495
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
tetrakis(4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one);oxalate;tetrahydrate
CID 139147434
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)propan-1-one
CID 6947222
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
bis(acetonitrile);tetrakis(4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one);oxalate
CID 139147435
3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one
CID 3609295
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
4-tert-butylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43218954
1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione
CID 4919371

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride?
The IUPAC name of 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride (CID 14640) is 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride is O=C(CCC[NH+]1CCCCC1)c1ccc(F)cc1.[Cl-].
What is the InChIKey of 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride?
The InChIKey is INQANUMBIQJXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.ClH/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17;/h6-9H,1-5,10-12H2;1H.
What are the key properties of 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride?
1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride has a molecular weight of 285.79 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride is sourced from PubChem (CID 14640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).