3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one

C14H18FNO2S — CID 43393966

IUPAC3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCSc1ccccc1F)N1CCC(O)CC1
InChIInChI=1S/C14H18FNO2S/c15-12-3-1-2-4-13(12)19-10-7-14(18)16-8-5-11(17)6-9-16/h1-4,11,17H,5-10H2
InChIKeyAVRQPRCJDCFUFU-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.29
Rot. Bonds4

About 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 43393966) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID43393966
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCSc1ccccc1F)N1CCC(O)CC1
InChIInChI=1S/C14H18FNO2S/c15-12-3-1-2-4-13(12)19-10-7-14(18)16-8-5-11(17)6-9-16/h1-4,11,17H,5-10H2
InChIKeyAVRQPRCJDCFUFU-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 43393966) is 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one is O=C(CCSc1ccccc1F)N1CCC(O)CC1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is AVRQPRCJDCFUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-3-1-2-4-13(12)19-10-7-14(18)16-8-5-11(17)6-9-16/h1-4,11,17H,5-10H2.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43393966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).