1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride

C16H23ClFNO — CID 15386

IUPAC1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride
SMILESCC1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1.[Cl-]
InChIInChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H
InChIKeyMQHYXXIJLKFQGY-UHFFFAOYSA-N
MW299.82 g/mol
LogP-0.89
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride

1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride (PubChem CID 15386) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride
PubChem CID15386
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride
SMILESCC1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1.[Cl-]
InChIInChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H
InChIKeyMQHYXXIJLKFQGY-UHFFFAOYSA-N
XLogP-0.89
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride (CID 15386) is 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride is CC1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1.[Cl-].
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride?
The InChIKey is MQHYXXIJLKFQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride?
1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride has a molecular weight of 299.82 g/mol, XLogP of -0.89, 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-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride is sourced from PubChem (CID 15386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).