3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol

C8H13BrN4O — CID 106461103

IUPAC3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol
SMILESCn1nnc(Br)c1C1(O)CCCNC1
InChIInChI=1S/C8H13BrN4O/c1-13-6(7(9)11-12-13)8(14)3-2-4-10-5-8/h10,14H,2-5H2,1H3
InChIKeyJKUXJFQJVSVLQN-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.15
Rot. Bonds1

About 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol

3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol (PubChem CID 106461103) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol
PubChem CID106461103
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol
SMILESCn1nnc(Br)c1C1(O)CCCNC1
InChIInChI=1S/C8H13BrN4O/c1-13-6(7(9)11-12-13)8(14)3-2-4-10-5-8/h10,14H,2-5H2,1H3
InChIKeyJKUXJFQJVSVLQN-UHFFFAOYSA-N
XLogP0.15
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol
CID 106461280
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol
CID 106461059
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 106461357
3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
CID 114667654
(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464088
4-(1-methylpyrazol-4-yl)azepan-4-ol
CID 126973104
3-(1-ethylimidazol-4-yl)piperidin-3-ol
CID 130508658
3-(cycloocten-1-yl)piperidin-3-ol
CID 106650906
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
3-(2-bromo-5-chlorophenyl)piperidin-3-ol
CID 117103863

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol (CID 106461103) is 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol is Cn1nnc(Br)c1C1(O)CCCNC1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol?
The InChIKey is JKUXJFQJVSVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-13-6(7(9)11-12-13)8(14)3-2-4-10-5-8/h10,14H,2-5H2,1H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol?
3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol has a molecular weight of 261.12 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 106461103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).