(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine

C13H18FNO2S — CID 755984

IUPAC(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO2S/c1-10-7-11(2)9-15(8-10)18(16,17)13-5-3-12(14)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyRYELLTAFNDNSCL-GHMZBOCLSA-N
MW271.36 g/mol
LogP2.49
Rot. Bonds2

About (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine

(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 755984) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID755984
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO2S/c1-10-7-11(2)9-15(8-10)18(16,17)13-5-3-12(14)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyRYELLTAFNDNSCL-GHMZBOCLSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine (CID 755984) is (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is RYELLTAFNDNSCL-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10-7-11(2)9-15(8-10)18(16,17)13-5-3-12(14)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine?
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 271.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 755984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).