[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C18H19F3N2O2S — CID 29255483

IUPAC[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H19F3N2O2S/c19-18(20,21)14-4-2-1-3-13(14)9-17(11-24)5-7-23(8-6-17)16(25)15-10-22-12-26-15/h1-4,10,12,24H,5-9,11H2
InChIKeyBFQHPLZOPYHGCM-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.62
Rot. Bonds4

About [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 29255483) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID29255483
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H19F3N2O2S/c19-18(20,21)14-4-2-1-3-13(14)9-17(11-24)5-7-23(8-6-17)16(25)15-10-22-12-26-15/h1-4,10,12,24H,5-9,11H2
InChIKeyBFQHPLZOPYHGCM-UHFFFAOYSA-N
XLogP3.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 29255483) is [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is BFQHPLZOPYHGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c19-18(20,21)14-4-2-1-3-13(14)9-17(11-24)5-7-23(8-6-17)16(25)15-10-22-12-26-15/h1-4,10,12,24H,5-9,11H2.
What are the key properties of [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 384.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 29255483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).