3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine

C13H25FN2O2S — CID 112563651

IUPAC3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC(F)C2CCNCC2)C1
InChIInChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-2-3-11(10-16)9-13(14)12-4-6-15-7-5-12/h11-13,15H,2-10H2,1H3
InChIKeyQRYUUUZNGYIKLF-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.39
Rot. Bonds4

About 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine

3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine (PubChem CID 112563651) has the molecular formula C13H25FN2O2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine
PubChem CID112563651
Molecular FormulaC13H25FN2O2S
Molecular Weight292.42 g/mol
Exact Mass292.16
IUPAC Name3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC(F)C2CCNCC2)C1
InChIInChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-2-3-11(10-16)9-13(14)12-4-6-15-7-5-12/h11-13,15H,2-10H2,1H3
InChIKeyQRYUUUZNGYIKLF-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 119930356
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 121358964
1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine
CID 121360908
4-(3-Piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide
CID 162622253
(2R,6S)-2-fluoro-6-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidine
CID 173833610
(2R,6S)-2-fluoro-6-methyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 173833616
4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 79611010
4,4,4-trifluoro-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611581
4,4,4-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611843
N-ethyl-4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611844
N-ethyl-5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79952841
5,5,5-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine?
The IUPAC name of 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine (CID 112563651) is 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCC(CC(F)C2CCNCC2)C1.
What is the InChIKey of 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine?
The InChIKey is QRYUUUZNGYIKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-2-3-11(10-16)9-13(14)12-4-6-15-7-5-12/h11-13,15H,2-10H2,1H3.
What are the key properties of 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine?
3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine has a molecular weight of 292.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-piperidin-4-ylethyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 112563651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).