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

C8H15ClN4O — CID 86262656

IUPAC(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
SMILESCl.OCc1cn(C2CCNCC2)nn1
InChIInChI=1S/C8H14N4O.ClH/c13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;/h5,8-9,13H,1-4,6H2;1H
InChIKeyXWOWYGRFKYQEHF-UHFFFAOYSA-N
MW218.69 g/mol
LogP0.12
Rot. Bonds2

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

(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride (PubChem CID 86262656) has the molecular formula C8H15ClN4O and a molecular weight of 218.69 g/mol. Its IUPAC name is (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
PubChem CID86262656
Molecular FormulaC8H15ClN4O
Molecular Weight218.69 g/mol
Exact Mass218.09
IUPAC Name(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
SMILESCl.OCc1cn(C2CCNCC2)nn1
InChIInChI=1S/C8H14N4O.ClH/c13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;/h5,8-9,13H,1-4,6H2;1H
InChIKeyXWOWYGRFKYQEHF-UHFFFAOYSA-N
XLogP0.12
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(azetidin-3-yl)triazol-4-yl]methanol
CID 75485535
[1-(thietan-3-yl)triazol-4-yl]methanol
CID 129452279
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
[1-(thiolan-3-yl)triazol-4-yl]methanol
CID 121200365
[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol
CID 129491102
[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
CID 165444649
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
CID 30876971
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
CID 129496204
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride?
The IUPAC name of (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride (CID 86262656) is (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride.
What is the SMILES notation for (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride?
The canonical SMILES for (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride is Cl.OCc1cn(C2CCNCC2)nn1.
What is the InChIKey of (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride?
The InChIKey is XWOWYGRFKYQEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.ClH/c13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;/h5,8-9,13H,1-4,6H2;1H.
What are the key properties of (1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride?
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 0.12, 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;hydrochloride is sourced from PubChem (CID 86262656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).