[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol

C12H20N4O — CID 129344711

IUPAC[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn([C@@H]2CCCN(C3CCC3)C2)nn1
InChIInChI=1S/C12H20N4O/c17-9-10-7-16(14-13-10)12-5-2-6-15(8-12)11-3-1-4-11/h7,11-12,17H,1-6,8-9H2/t12-/m1/s1
InChIKeyKQVACKMILQEJMQ-GFCCVEGCSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds3

About [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol

[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol (PubChem CID 129344711) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
PubChem CID129344711
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn([C@@H]2CCCN(C3CCC3)C2)nn1
InChIInChI=1S/C12H20N4O/c17-9-10-7-16(14-13-10)12-5-2-6-15(8-12)11-3-1-4-11/h7,11-12,17H,1-6,8-9H2/t12-/m1/s1
InChIKeyKQVACKMILQEJMQ-GFCCVEGCSA-N
XLogP0.96
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
CID 129496204
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
[1-(azetidin-3-yl)triazol-4-yl]methanol
CID 75485535
[1-(thietan-3-yl)triazol-4-yl]methanol
CID 129452279
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone
CID 154837451
[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

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol (CID 129344711) is [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol is OCc1cn([C@@H]2CCCN(C3CCC3)C2)nn1.
What is the InChIKey of [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol?
The InChIKey is KQVACKMILQEJMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N4O/c17-9-10-7-16(14-13-10)12-5-2-6-15(8-12)11-3-1-4-11/h7,11-12,17H,1-6,8-9H2/t12-/m1/s1.
What are the key properties of [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol?
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol has a molecular weight of 236.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 129344711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).