3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine

C14H20FNO3S — CID 117485588

IUPAC3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCCNC2)cc(F)cc1S(C)(=O)=O
InChIInChI=1S/C14H20FNO3S/c1-19-14-11(6-10-4-3-5-16-9-10)7-12(15)8-13(14)20(2,17)18/h7-8,10,16H,3-6,9H2,1-2H3
InChIKeyYWWIZOKWUKZKQE-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.78
Rot. Bonds4

About 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine

3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine (PubChem CID 117485588) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
PubChem CID117485588
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCCNC2)cc(F)cc1S(C)(=O)=O
InChIInChI=1S/C14H20FNO3S/c1-19-14-11(6-10-4-3-5-16-9-10)7-12(15)8-13(14)20(2,17)18/h7-8,10,16H,3-6,9H2,1-2H3
InChIKeyYWWIZOKWUKZKQE-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 84802159
4-[(2,5-difluoro-3-methylsulfonylphenyl)methyl]piperidine
CID 117467494
3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine
CID 117497365
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
The IUPAC name of 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine (CID 117485588) is 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine is COc1c(CC2CCCNC2)cc(F)cc1S(C)(=O)=O.
What is the InChIKey of 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
The InChIKey is YWWIZOKWUKZKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-19-14-11(6-10-4-3-5-16-9-10)7-12(15)8-13(14)20(2,17)18/h7-8,10,16H,3-6,9H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine has a molecular weight of 301.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine is sourced from PubChem (CID 117485588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).