4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol

C19H20F3NOS — CID 69152077

IUPAC4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1ccccc1Sc1ccc(C2(O)CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3NOS/c1-13-4-2-3-5-16(13)25-17-7-6-14(12-15(17)19(20,21)22)18(24)8-10-23-11-9-18/h2-7,12,23-24H,8-11H2,1H3
InChIKeyMECMCZROGCXFSO-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.74
Rot. Bonds3

About 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol

4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 69152077) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID69152077
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1ccccc1Sc1ccc(C2(O)CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3NOS/c1-13-4-2-3-5-16(13)25-17-7-6-14(12-15(17)19(20,21)22)18(24)8-10-23-11-9-18/h2-7,12,23-24H,8-11H2,1H3
InChIKeyMECMCZROGCXFSO-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 69152077) is 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1ccccc1Sc1ccc(C2(O)CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is MECMCZROGCXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c1-13-4-2-3-5-16(13)25-17-7-6-14(12-15(17)19(20,21)22)18(24)8-10-23-11-9-18/h2-7,12,23-24H,8-11H2,1H3.
What are the key properties of 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol?
4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 367.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 69152077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).