3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine

C18H19F3N2O2S — CID 19594576

IUPAC3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCCCC2)c1
InChIInChI=1S/C18H19F3N2O2S/c1-26(24,25)15-7-5-6-13(10-15)16-11-14(18(19,20)21)12-22-17(16)23-8-3-2-4-9-23/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyCHCFAHJATZWQFJ-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.16
Rot. Bonds3

About 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine

3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine (PubChem CID 19594576) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
PubChem CID19594576
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCCCC2)c1
InChIInChI=1S/C18H19F3N2O2S/c1-26(24,25)15-7-5-6-13(10-15)16-11-14(18(19,20)21)12-22-17(16)23-8-3-2-4-9-23/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyCHCFAHJATZWQFJ-UHFFFAOYSA-N
XLogP4.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine (CID 19594576) is 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine is CS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCCCC2)c1.
What is the InChIKey of 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
The InChIKey is CHCFAHJATZWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c1-26(24,25)15-7-5-6-13(10-15)16-11-14(18(19,20)21)12-22-17(16)23-8-3-2-4-9-23/h5-7,10-12H,2-4,8-9H2,1H3.
What are the key properties of 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine?
3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine has a molecular weight of 384.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19594576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).