(1-piperidin-3-yltriazol-4-yl)methanol

C8H14N4O — CID 86262660

IUPAC(1-piperidin-3-yltriazol-4-yl)methanol
SMILESOCc1cn(C2CCCNC2)nn1
InChIInChI=1S/C8H14N4O/c13-6-7-5-12(11-10-7)8-2-1-3-9-4-8/h5,8-9,13H,1-4,6H2
InChIKeyQEHBKIRYKVJAAQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.31
Rot. Bonds2

About (1-piperidin-3-yltriazol-4-yl)methanol

(1-piperidin-3-yltriazol-4-yl)methanol (PubChem CID 86262660) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (1-piperidin-3-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-piperidin-3-yltriazol-4-yl)methanol
PubChem CID86262660
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(1-piperidin-3-yltriazol-4-yl)methanol
SMILESOCc1cn(C2CCCNC2)nn1
InChIInChI=1S/C8H14N4O/c13-6-7-5-12(11-10-7)8-2-1-3-9-4-8/h5,8-9,13H,1-4,6H2
InChIKeyQEHBKIRYKVJAAQ-UHFFFAOYSA-N
XLogP-0.31
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-piperidin-3-yltriazol-4-yl)methanol?
The IUPAC name of (1-piperidin-3-yltriazol-4-yl)methanol (CID 86262660) is (1-piperidin-3-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-piperidin-3-yltriazol-4-yl)methanol?
The canonical SMILES for (1-piperidin-3-yltriazol-4-yl)methanol is OCc1cn(C2CCCNC2)nn1.
What is the InChIKey of (1-piperidin-3-yltriazol-4-yl)methanol?
The InChIKey is QEHBKIRYKVJAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-6-7-5-12(11-10-7)8-2-1-3-9-4-8/h5,8-9,13H,1-4,6H2.
What are the key properties of (1-piperidin-3-yltriazol-4-yl)methanol?
(1-piperidin-3-yltriazol-4-yl)methanol has a molecular weight of 182.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-3-yltriazol-4-yl)methanol is sourced from PubChem (CID 86262660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).