[1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C18H26F3NOS — CID 29149934

IUPAC[1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCSCCCN1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H26F3NOS/c1-24-12-4-9-22-10-7-17(14-23,8-11-22)13-15-5-2-3-6-16(15)18(19,20)21/h2-3,5-6,23H,4,7-14H2,1H3
InChIKeySREYGYHVTVCNOI-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.08
Rot. Bonds7

About [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 29149934) has the molecular formula C18H26F3NOS and a molecular weight of 361.47 g/mol. Its IUPAC name is [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID29149934
Molecular FormulaC18H26F3NOS
Molecular Weight361.47 g/mol
Exact Mass361.17
IUPAC Name[1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCSCCCN1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H26F3NOS/c1-24-12-4-9-22-10-7-17(14-23,8-11-22)13-15-5-2-3-6-16(15)18(19,20)21/h2-3,5-6,23H,4,7-14H2,1H3
InChIKeySREYGYHVTVCNOI-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol 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

{3-(2-Fluorobenzyl)-1-[3-(methylthio)propyl]piperidin-3-yl}methanol
CID 23723791
[1-Propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 44522123
[1-[1-Methyl-2-(methylthio)ethyl]-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16190963
[1-[1-Methyl-2-(methylthio)ethyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191775
{1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16188522
{3-(4-Fluorobenzyl)-1-[3-(methylthio)propyl]piperidin-3-yl}methanol
CID 23723821
[3-(2-Phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
CID 23724060
{3-(2-Methylbenzyl)-1-[(methylthio)acetyl]piperidin-3-yl}methanol
CID 16189224
[4-(3-phenylpropyl)-1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]methanol
CID 16190953
{4-[2-(Trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56876820
[1-(Thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 29024230
1-[4-(Hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 29088811

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 29149934) is [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is CSCCCN1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is SREYGYHVTVCNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NOS/c1-24-12-4-9-22-10-7-17(14-23,8-11-22)13-15-5-2-3-6-16(15)18(19,20)21/h2-3,5-6,23H,4,7-14H2,1H3.
What are the key properties of [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 361.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 29149934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).