1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol

C17H21N7O — CID 128979303

IUPAC1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(Cc2nncn2-c2ccccc2)C1
InChIInChI=1S/C17H21N7O/c25-17(13-23-10-8-18-21-23)7-4-9-22(12-17)11-16-20-19-14-24(16)15-5-2-1-3-6-15/h1-3,5-6,8,10,14,25H,4,7,9,11-13H2
InChIKeyPDTQLGCXBRVOOY-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.89
Rot. Bonds5

About 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol

1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol (PubChem CID 128979303) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
PubChem CID128979303
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(Cc2nncn2-c2ccccc2)C1
InChIInChI=1S/C17H21N7O/c25-17(13-23-10-8-18-21-23)7-4-9-22(12-17)11-16-20-19-14-24(16)15-5-2-1-3-6-15/h1-3,5-6,8,10,14,25H,4,7,9,11-13H2
InChIKeyPDTQLGCXBRVOOY-UHFFFAOYSA-N
XLogP0.89
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756737
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 167850598
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756604
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol
CID 154772565
2-(2-bromophenyl)-1-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 71791957
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole
CID 136569269
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 119291922
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119291921
3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 132776861
3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol
CID 166350645

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol (CID 128979303) is 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol is OC1(Cn2ccnn2)CCCN(Cc2nncn2-c2ccccc2)C1.
What is the InChIKey of 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The InChIKey is PDTQLGCXBRVOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c25-17(13-23-10-8-18-21-23)7-4-9-22(12-17)11-16-20-19-14-24(16)15-5-2-1-3-6-15/h1-3,5-6,8,10,14,25H,4,7,9,11-13H2.
What are the key properties of 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol has a molecular weight of 339.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 128979303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).