3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine

C12H23FN2O2S — CID 112562827

IUPAC3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC2(F)CCCNC2)C1
InChIInChI=1S/C12H23FN2O2S/c1-18(16,17)15-7-2-4-11(9-15)8-12(13)5-3-6-14-10-12/h11,14H,2-10H2,1H3
InChIKeyBCVBIZDKUYYJBP-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.14
Rot. Bonds3

About 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine

3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine (PubChem CID 112562827) has the molecular formula C12H23FN2O2S and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine
PubChem CID112562827
Molecular FormulaC12H23FN2O2S
Molecular Weight278.39 g/mol
Exact Mass278.15
IUPAC Name3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC2(F)CCCNC2)C1
InChIInChI=1S/C12H23FN2O2S/c1-18(16,17)15-7-2-4-11(9-15)8-12(13)5-3-6-14-10-12/h11,14H,2-10H2,1H3
InChIKeyBCVBIZDKUYYJBP-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine?
The IUPAC name of 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine (CID 112562827) is 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine?
The canonical SMILES for 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCC(CC2(F)CCCNC2)C1.
What is the InChIKey of 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine?
The InChIKey is BCVBIZDKUYYJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2S/c1-18(16,17)15-7-2-4-11(9-15)8-12(13)5-3-6-14-10-12/h11,14H,2-10H2,1H3.
What are the key properties of 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine?
3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine has a molecular weight of 278.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropiperidin-3-yl)methyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 112562827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).