[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol

C20H25NOS — CID 50852233

IUPAC[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol
SMILESCc1cccc(Sc2ccccc2CN2CCCC(CO)C2)c1
InChIInChI=1S/C20H25NOS/c1-16-6-4-9-19(12-16)23-20-10-3-2-8-18(20)14-21-11-5-7-17(13-21)15-22/h2-4,6,8-10,12,17,22H,5,7,11,13-15H2,1H3
InChIKeyVFOUDCVQXHQWJU-UHFFFAOYSA-N
MW327.49 g/mol
LogP4.35
Rot. Bonds5

About [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol

[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol (PubChem CID 50852233) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol
PubChem CID50852233
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol
SMILESCc1cccc(Sc2ccccc2CN2CCCC(CO)C2)c1
InChIInChI=1S/C20H25NOS/c1-16-6-4-9-19(12-16)23-20-10-3-2-8-18(20)14-21-11-5-7-17(13-21)15-22/h2-4,6,8-10,12,17,22H,5,7,11,13-15H2,1H3
InChIKeyVFOUDCVQXHQWJU-UHFFFAOYSA-N
XLogP4.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
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[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 26406315
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43590347
[1-[(7-ethyl-1H-indol-3-yl)methyl]piperidin-3-yl]methanol
CID 110244912
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol (CID 50852233) is [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol is Cc1cccc(Sc2ccccc2CN2CCCC(CO)C2)c1.
What is the InChIKey of [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is VFOUDCVQXHQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-16-6-4-9-19(12-16)23-20-10-3-2-8-18(20)14-21-11-5-7-17(13-21)15-22/h2-4,6,8-10,12,17,22H,5,7,11,13-15H2,1H3.
What are the key properties of [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol?
[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 327.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 50852233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).