[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

C17H24N4OS — CID 29024208

IUPAC[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCSc1cccc(CN2CCC(Cn3cc(CO)nn3)CC2)c1
InChIInChI=1S/C17H24N4OS/c1-23-17-4-2-3-15(9-17)10-20-7-5-14(6-8-20)11-21-12-16(13-22)18-19-21/h2-4,9,12,14,22H,5-8,10-11,13H2,1H3
InChIKeyBFENIAMDRJSMNM-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.40
Rot. Bonds6

About [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 29024208) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID29024208
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCSc1cccc(CN2CCC(Cn3cc(CO)nn3)CC2)c1
InChIInChI=1S/C17H24N4OS/c1-23-17-4-2-3-15(9-17)10-20-7-5-14(6-8-20)11-21-12-16(13-22)18-19-21/h2-4,9,12,14,22H,5-8,10-11,13H2,1H3
InChIKeyBFENIAMDRJSMNM-UHFFFAOYSA-N
XLogP2.40
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45191246
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154885624
[1-[[(3S,4S)-4-(hydroxymethyl)-1-[(3-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 133125853
[1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887006
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458
[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28854477
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
[1-[[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887736
[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 46993018
3-ethyl-1-[(3-methylsulfanylphenyl)methyl]azetidine
CID 164557618
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 31193716

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 29024208) is [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is CSc1cccc(CN2CCC(Cn3cc(CO)nn3)CC2)c1.
What is the InChIKey of [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is BFENIAMDRJSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-23-17-4-2-3-15(9-17)10-20-7-5-14(6-8-20)11-21-12-16(13-22)18-19-21/h2-4,9,12,14,22H,5-8,10-11,13H2,1H3.
What are the key properties of [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 332.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 29024208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).