4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine

C15H20FNO3S — CID 117498748

IUPAC4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine
SMILESO=S(=O)(c1ccc(CC2CCNCC2)cc1F)C1COC1
InChIInChI=1S/C15H20FNO3S/c16-14-8-12(7-11-3-5-17-6-4-11)1-2-15(14)21(18,19)13-9-20-10-13/h1-2,8,11,13,17H,3-7,9-10H2
InChIKeyHARRBHVKPGIDNR-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.54
Rot. Bonds4

About 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine

4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine (PubChem CID 117498748) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine
PubChem CID117498748
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine
SMILESO=S(=O)(c1ccc(CC2CCNCC2)cc1F)C1COC1
InChIInChI=1S/C15H20FNO3S/c16-14-8-12(7-11-3-5-17-6-4-11)1-2-15(14)21(18,19)13-9-20-10-13/h1-2,8,11,13,17H,3-7,9-10H2
InChIKeyHARRBHVKPGIDNR-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
CID 117438220
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-amine
CID 117435672
4-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422375
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
CID 117343574
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
4-[(4-bromo-3-fluorophenyl)methyl]piperidine;tert-butyl formate
CID 174621777
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine
CID 117498745
4-[(3-methylsulfonylphenyl)methyl]piperidine
CID 84804489
4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
CID 117402200
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine (CID 117498748) is 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine is O=S(=O)(c1ccc(CC2CCNCC2)cc1F)C1COC1.
What is the InChIKey of 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine?
The InChIKey is HARRBHVKPGIDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c16-14-8-12(7-11-3-5-17-6-4-11)1-2-15(14)21(18,19)13-9-20-10-13/h1-2,8,11,13,17H,3-7,9-10H2.
What are the key properties of 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine?
4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine has a molecular weight of 313.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117498748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).