(1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol

C18H20F3NOS — CID 67899865

IUPAC(1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCN1CCC(c2cccs2)C(C(O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3NOS/c1-22-8-7-14(16-6-3-9-24-16)15(11-22)17(23)12-4-2-5-13(10-12)18(19,20)21/h2-6,9-10,14-15,17,23H,7-8,11H2,1H3
InChIKeyXKIBRDROIUNUAH-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.54
Rot. Bonds3

About (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol

(1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 67899865) has the molecular formula C18H20F3NOS and a molecular weight of 355.43 g/mol. Its IUPAC name is (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID67899865
Molecular FormulaC18H20F3NOS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name(1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCN1CCC(c2cccs2)C(C(O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3NOS/c1-22-8-7-14(16-6-3-9-24-16)15(11-22)17(23)12-4-2-5-13(10-12)18(19,20)21/h2-6,9-10,14-15,17,23H,7-8,11H2,1H3
InChIKeyXKIBRDROIUNUAH-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 67899865) is (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol is CN1CCC(c2cccs2)C(C(O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is XKIBRDROIUNUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NOS/c1-22-8-7-14(16-6-3-9-24-16)15(11-22)17(23)12-4-2-5-13(10-12)18(19,20)21/h2-6,9-10,14-15,17,23H,7-8,11H2,1H3.
What are the key properties of (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol?
(1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 355.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 67899865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).