[1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C18H26F3NOS — CID 25455787

IUPAC[1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCSC[C@H](C)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H26F3NOS/c1-14(12-24-2)22-9-7-17(13-23,8-10-22)11-15-5-3-4-6-16(15)18(19,20)21/h3-6,14,23H,7-13H2,1-2H3/t14-/m0/s1
InChIKeyZIUGTHMVNCYAPP-AWEZNQCLSA-N
MW361.47 g/mol
LogP4.07
Rot. Bonds6

About [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 25455787) has the molecular formula C18H26F3NOS and a molecular weight of 361.47 g/mol. Its IUPAC name is [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID25455787
Molecular FormulaC18H26F3NOS
Molecular Weight361.47 g/mol
Exact Mass361.17
IUPAC Name[1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCSC[C@H](C)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H26F3NOS/c1-14(12-24-2)22-9-7-17(13-23,8-10-22)11-15-5-3-4-6-16(15)18(19,20)21/h3-6,14,23H,7-13H2,1-2H3/t14-/m0/s1
InChIKeyZIUGTHMVNCYAPP-AWEZNQCLSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2S)-1-methylsulfanylpropan-2-yl]-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)-4-piperidinyl]methanol
CID 16190963
[1-[1-Methyl-2-(methylthio)ethyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191775
{1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 16188522
{3-(4-Fluorobenzyl)-1-[3-(methylthio)propyl]-3-piperidinyl}methanol
CID 23723821
[4-(3-phenylpropyl)-1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]methanol
CID 16190953
Ethyl 1-[1-methyl-2-(methylthio)ethyl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 16192376
[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
[1-(3-Methylsulfanylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 29149934
{1-[(2E)-3-phenyl-2-propen-1-yl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 42157533

Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 25455787) is [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is CSC[C@H](C)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is ZIUGTHMVNCYAPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26F3NOS/c1-14(12-24-2)22-9-7-17(13-23,8-10-22)11-15-5-3-4-6-16(15)18(19,20)21/h3-6,14,23H,7-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 361.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 25455787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).