1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride

C14H19ClFNO — CID 46743523

IUPAC1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride
SMILESO=C(CC[NH+]1CCCCC1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H18FNO.ClH/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16;/h4-7H,1-3,8-11H2;1H
InChIKeyIOEPRJMKWRLAHK-UHFFFAOYSA-N
MW271.76 g/mol
LogP-1.53
Rot. Bonds4

About 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride

1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride (PubChem CID 46743523) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride
PubChem CID46743523
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride
SMILESO=C(CC[NH+]1CCCCC1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H18FNO.ClH/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16;/h4-7H,1-3,8-11H2;1H
InChIKeyIOEPRJMKWRLAHK-UHFFFAOYSA-N
XLogP-1.53
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-1-one chloride
CID 14640
1-(4-fluorophenyl)-4-(4-methylpiperazine-1,4-diium-1-yl)butan-1-one dichloride
CID 44659495
3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)propan-1-one
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3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one
CID 3609295
1,9-bis(4-fluorophenyl)nonane-1,9-dione
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3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione
CID 125479846
4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)-3-oxopropyl]azepan-1-ium-4-yl]phthalazin-1-one chloride
CID 110187775
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-ium-1-yl]propan-1-one
CID 6970584

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride?
The IUPAC name of 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride (CID 46743523) is 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride?
The canonical SMILES for 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride is O=C(CC[NH+]1CCCCC1)c1ccc(F)cc1.[Cl-].
What is the InChIKey of 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride?
The InChIKey is IOEPRJMKWRLAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO.ClH/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16;/h4-7H,1-3,8-11H2;1H.
What are the key properties of 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride?
1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride has a molecular weight of 271.76 g/mol, XLogP of -1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride is sourced from PubChem (CID 46743523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).