phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol

C19H22N4OS — CID 45225481

IUPACphenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol
SMILESOC(c1ccccc1)c1cn(C2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C19H22N4OS/c24-19(16-4-2-1-3-5-16)18-13-23(21-20-18)17-6-9-22(10-7-17)12-15-8-11-25-14-15/h1-5,8,11,13-14,17,19,24H,6-7,9-10,12H2
InChIKeyPTBQVGCAPOXHPE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.26
Rot. Bonds5

About phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol

phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol (PubChem CID 45225481) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol
PubChem CID45225481
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Namephenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol
SMILESOC(c1ccccc1)c1cn(C2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C19H22N4OS/c24-19(16-4-2-1-3-5-16)18-13-23(21-20-18)17-6-9-22(10-7-17)12-15-8-11-25-14-15/h1-5,8,11,13-14,17,19,24H,6-7,9-10,12H2
InChIKeyPTBQVGCAPOXHPE-UHFFFAOYSA-N
XLogP3.26
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[3-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]thiophen-2-yl]methanol
CID 70981433
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]phenyl]methanol
CID 89943657
[3-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]phenyl]methanol
CID 89949440
[5-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]thiophen-2-yl]methanol
CID 155522642
[3-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-3-yl]phenyl]methanol
CID 89943696
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-3-yl]phenyl]methanol
CID 89943716
[5-[4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]thiophen-2-yl]methanol
CID 89943860
(3S,4S,6R)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902577
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]-2-fluorophenyl]methanol
CID 155523360
2-[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]phenyl]ethanol
CID 155532527
(3R,4R,6R)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902510
(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902500

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
The IUPAC name of phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol (CID 45225481) is phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol.
What is the SMILES notation for phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
The canonical SMILES for phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol is OC(c1ccccc1)c1cn(C2CCN(Cc3ccsc3)CC2)nn1.
What is the InChIKey of phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
The InChIKey is PTBQVGCAPOXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c24-19(16-4-2-1-3-5-16)18-13-23(21-20-18)17-6-9-22(10-7-17)12-15-8-11-25-14-15/h1-5,8,11,13-14,17,19,24H,6-7,9-10,12H2.
What are the key properties of phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol has a molecular weight of 354.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol is sourced from PubChem (CID 45225481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).