(1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride

C8H16Cl2N4O — CID 155822152

IUPAC(1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride
SMILESCl.Cl.OCc1cn(C2CCNCC2)nn1
InChIInChI=1S/C8H14N4O.2ClH/c13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;;/h5,8-9,13H,1-4,6H2;2*1H
InChIKeyUGJNCXZCPGYNLO-UHFFFAOYSA-N
MW255.15 g/mol
LogP0.54
Rot. Bonds2

About (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride

(1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride (PubChem CID 155822152) has the molecular formula C8H16Cl2N4O and a molecular weight of 255.15 g/mol. Its IUPAC name is (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride.

Molecular Properties

Compound Name(1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride
PubChem CID155822152
Molecular FormulaC8H16Cl2N4O
Molecular Weight255.15 g/mol
Exact Mass254.07
IUPAC Name(1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride
SMILESCl.Cl.OCc1cn(C2CCNCC2)nn1
InChIInChI=1S/C8H14N4O.2ClH/c13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;;/h5,8-9,13H,1-4,6H2;2*1H
InChIKeyUGJNCXZCPGYNLO-UHFFFAOYSA-N
XLogP0.54
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride?
The IUPAC name of (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride (CID 155822152) is (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride.
What is the SMILES notation for (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride?
The canonical SMILES for (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride is Cl.Cl.OCc1cn(C2CCNCC2)nn1.
What is the InChIKey of (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride?
The InChIKey is UGJNCXZCPGYNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.2ClH/c13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;;/h5,8-9,13H,1-4,6H2;2*1H.
What are the key properties of (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride?
(1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride has a molecular weight of 255.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-yltriazol-4-yl)methanol;dihydrochloride is sourced from PubChem (CID 155822152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).