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

C19H26F3NOS — CID 29024230

IUPAC[1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H26F3NOS/c20-19(21,22)17-4-2-1-3-15(17)13-18(14-24)7-9-23(10-8-18)16-5-11-25-12-6-16/h1-4,16,24H,5-14H2
InChIKeyVDYRPNAUAXQZTO-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.22
Rot. Bonds4

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

[1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 29024230) has the molecular formula C19H26F3NOS and a molecular weight of 373.48 g/mol. Its IUPAC name is [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID29024230
Molecular FormulaC19H26F3NOS
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC Name[1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H26F3NOS/c20-19(21,22)17-4-2-1-3-15(17)13-18(14-24)7-9-23(10-8-18)16-5-11-25-12-6-16/h1-4,16,24H,5-14H2
InChIKeyVDYRPNAUAXQZTO-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[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
[4-(3-phenylpropyl)-1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]methanol
CID 16190953
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
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 126460908
[1-[(2R)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 25455783
[1-[(2S)-1-methylsulfanylpropan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 25455787
{1-[(Phenylthio)acetyl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 25491446
[(3R)-3-[(2,4-difluorophenyl)methyl]-1-(thian-4-yl)piperidin-3-yl]methanol
CID 42346583

Frequently Asked Questions

What is the IUPAC name of [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 29024230) is [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is OCC1(Cc2ccccc2C(F)(F)F)CCN(C2CCSCC2)CC1.
What is the InChIKey of [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is VDYRPNAUAXQZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NOS/c20-19(21,22)17-4-2-1-3-15(17)13-18(14-24)7-9-23(10-8-18)16-5-11-25-12-6-16/h1-4,16,24H,5-14H2.
What are the key properties of [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 373.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thian-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 29024230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).