[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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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).