1-(3-methyltriazol-4-yl)piperidin-4-ol

C8H14N4O — CID 130486844

IUPAC1-(3-methyltriazol-4-yl)piperidin-4-ol
SMILESCn1nncc1N1CCC(O)CC1
InChIInChI=1S/C8H14N4O/c1-11-8(6-9-10-11)12-4-2-7(13)3-5-12/h6-7,13H,2-5H2,1H3
InChIKeyMISSFNJRZVGZSQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.22
Rot. Bonds1

About 1-(3-methyltriazol-4-yl)piperidin-4-ol

1-(3-methyltriazol-4-yl)piperidin-4-ol (PubChem CID 130486844) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)piperidin-4-ol
PubChem CID130486844
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(3-methyltriazol-4-yl)piperidin-4-ol
SMILESCn1nncc1N1CCC(O)CC1
InChIInChI=1S/C8H14N4O/c1-11-8(6-9-10-11)12-4-2-7(13)3-5-12/h6-7,13H,2-5H2,1H3
InChIKeyMISSFNJRZVGZSQ-UHFFFAOYSA-N
XLogP-0.22
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)piperidin-4-ol?
The IUPAC name of 1-(3-methyltriazol-4-yl)piperidin-4-ol (CID 130486844) is 1-(3-methyltriazol-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(3-methyltriazol-4-yl)piperidin-4-ol is Cn1nncc1N1CCC(O)CC1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)piperidin-4-ol?
The InChIKey is MISSFNJRZVGZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11-8(6-9-10-11)12-4-2-7(13)3-5-12/h6-7,13H,2-5H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)piperidin-4-ol?
1-(3-methyltriazol-4-yl)piperidin-4-ol has a molecular weight of 182.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 130486844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).