(2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C19H19F3N2O2S — CID 71798741

IUPAC(2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCSc1ccccc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N2O2S/c1-27-16-5-3-2-4-15(16)18(25)24-10-8-14(9-11-24)26-17-7-6-13(12-23-17)19(20,21)22/h2-7,12,14H,8-11H2,1H3
InChIKeyBMWIATTVFPWOAW-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.51
Rot. Bonds4

About (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

(2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798741) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798741
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name(2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCSc1ccccc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N2O2S/c1-27-16-5-3-2-4-15(16)18(25)24-10-8-14(9-11-24)26-17-7-6-13(12-23-17)19(20,21)22/h2-7,12,14H,8-11H2,1H3
InChIKeyBMWIATTVFPWOAW-UHFFFAOYSA-N
XLogP4.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798741) is (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is CSc1ccccc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is BMWIATTVFPWOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-27-16-5-3-2-4-15(16)18(25)24-10-8-14(9-11-24)26-17-7-6-13(12-23-17)19(20,21)22/h2-7,12,14H,8-11H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 396.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).