[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol

C16H20N8O — CID 28955111

IUPAC[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(c3nnnn3-c3ccccc3)CC2)nn1
InChIInChI=1S/C16H20N8O/c25-12-14-11-23(20-17-14)10-13-6-8-22(9-7-13)16-18-19-21-24(16)15-4-2-1-3-5-15/h1-5,11,13,25H,6-10,12H2
InChIKeyUCMZCEWSBIBMBB-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.66
Rot. Bonds5

About [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 28955111) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID28955111
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(c3nnnn3-c3ccccc3)CC2)nn1
InChIInChI=1S/C16H20N8O/c25-12-14-11-23(20-17-14)10-13-6-8-22(9-7-13)16-18-19-21-24(16)15-4-2-1-3-5-15/h1-5,11,13,25H,6-10,12H2
InChIKeyUCMZCEWSBIBMBB-UHFFFAOYSA-N
XLogP0.66
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 45199817
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
CID 70749239
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine
CID 155966790
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28854477

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 28955111) is [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol is OCc1cn(CC2CCN(c3nnnn3-c3ccccc3)CC2)nn1.
What is the InChIKey of [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is UCMZCEWSBIBMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c25-12-14-11-23(20-17-14)10-13-6-8-22(9-7-13)16-18-19-21-24(16)15-4-2-1-3-5-15/h1-5,11,13,25H,6-10,12H2.
What are the key properties of [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 340.39 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 28955111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).