3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

C15H22ClFN2OS — CID 119492388

IUPAC3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)CCSc2ccc(F)cc2)C1.Cl
InChIInChI=1S/C15H21FN2OS.ClH/c1-17-13-3-2-9-18(11-13)15(19)8-10-20-14-6-4-12(16)5-7-14;/h4-7,13,17H,2-3,8-11H2,1H3;1H
InChIKeyRUDDENHLAHCWPM-UHFFFAOYSA-N
MW332.87 g/mol
LogP2.94
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119492388) has the molecular formula C15H22ClFN2OS and a molecular weight of 332.87 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119492388
Molecular FormulaC15H22ClFN2OS
Molecular Weight332.87 g/mol
Exact Mass332.11
IUPAC Name3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)CCSc2ccc(F)cc2)C1.Cl
InChIInChI=1S/C15H21FN2OS.ClH/c1-17-13-3-2-9-18(11-13)15(19)8-10-20-14-6-4-12(16)5-7-14;/h4-7,13,17H,2-3,8-11H2,1H3;1H
InChIKeyRUDDENHLAHCWPM-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119487625
4-(4-chlorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488253
3-(4-fluorophenyl)sulfanyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119397977
(3R)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 81126736
ethyl 1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate
CID 102603469
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 119487428
3-(4-fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62372547
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
CID 62545645
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
3-(4-methylphenyl)sulfanyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 17187440
2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119492388) is 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is CNC1CCCN(C(=O)CCSc2ccc(F)cc2)C1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is RUDDENHLAHCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS.ClH/c1-17-13-3-2-9-18(11-13)15(19)8-10-20-14-6-4-12(16)5-7-14;/h4-7,13,17H,2-3,8-11H2,1H3;1H.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 332.87 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119492388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).