1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol

C13H22N4O2 — CID 50852272

IUPAC1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(CC3CCCO3)nn2)CC1
InChIInChI=1S/C13H22N4O2/c18-12-3-5-16(6-4-12)8-11-9-17(15-14-11)10-13-2-1-7-19-13/h9,12-13,18H,1-8,10H2
InChIKeyOQSSFVRQFZYNQV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.41
Rot. Bonds4

About 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol

1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol (PubChem CID 50852272) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol
PubChem CID50852272
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(CC3CCCO3)nn2)CC1
InChIInChI=1S/C13H22N4O2/c18-12-3-5-16(6-4-12)8-11-9-17(15-14-11)10-13-2-1-7-19-13/h9,12-13,18H,1-8,10H2
InChIKeyOQSSFVRQFZYNQV-UHFFFAOYSA-N
XLogP0.41
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol (CID 50852272) is 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol is OC1CCN(Cc2cn(CC3CCCO3)nn2)CC1.
What is the InChIKey of 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is OQSSFVRQFZYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-12-3-5-16(6-4-12)8-11-9-17(15-14-11)10-13-2-1-7-19-13/h9,12-13,18H,1-8,10H2.
What are the key properties of 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol?
1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 266.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 50852272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).