[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol
CID 29259096
[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 56760056
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 42215969
3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 110138708
[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 163317334
[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone
CID 124991511
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-pyridin-2-ylpiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95828576
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 695033
(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 138995245
2-pyridin-3-yl-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155833316

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).