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

C18H26N4OS — CID 45191246

IUPAC1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCSc1cccc(CN2CCC(Cn3cc(C(C)O)nn3)CC2)c1
InChIInChI=1S/C18H26N4OS/c1-14(23)18-13-22(20-19-18)12-15-6-8-21(9-7-15)11-16-4-3-5-17(10-16)24-2/h3-5,10,13-15,23H,6-9,11-12H2,1-2H3
InChIKeyIHVYDEYHIPSSQM-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.97
Rot. Bonds6

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

1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 45191246) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID45191246
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCSc1cccc(CN2CCC(Cn3cc(C(C)O)nn3)CC2)c1
InChIInChI=1S/C18H26N4OS/c1-14(23)18-13-22(20-19-18)12-15-6-8-21(9-7-15)11-16-4-3-5-17(10-16)24-2/h3-5,10,13-15,23H,6-9,11-12H2,1-2H3
InChIKeyIHVYDEYHIPSSQM-UHFFFAOYSA-N
XLogP2.97
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.97
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;2,2,2-trifluoroacetic acid
CID 154885624
[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 29024208
1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45190479
(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
(1R)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739230
(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739233
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886114
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45236299
[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 45220142
[1-[[(3S,4S)-4-(hydroxymethyl)-1-[(3-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 133125853
1-methyl-4-[1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]ethyl]piperazine
CID 70740799

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 45191246) is 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is CSc1cccc(CN2CCC(Cn3cc(C(C)O)nn3)CC2)c1.
What is the InChIKey of 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is IHVYDEYHIPSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-14(23)18-13-22(20-19-18)12-15-6-8-21(9-7-15)11-16-4-3-5-17(10-16)24-2/h3-5,10,13-15,23H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 346.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 45191246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).