(3S)-3-(triazol-1-ylmethyl)piperidin-3-ol

C8H14N4O — CID 124707561

IUPAC(3S)-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESO[C@@]1(Cn2ccnn2)CCCNC1
InChIInChI=1S/C8H14N4O/c13-8(2-1-3-9-6-8)7-12-5-4-10-11-12/h4-5,9,13H,1-3,6-7H2/t8-/m0/s1
InChIKeyZIWIZUNXJJKHPT-QMMMGPOBSA-N
MW182.23 g/mol
LogP-0.61
Rot. Bonds2

About (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol

(3S)-3-(triazol-1-ylmethyl)piperidin-3-ol (PubChem CID 124707561) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(triazol-1-ylmethyl)piperidin-3-ol
PubChem CID124707561
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(3S)-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESO[C@@]1(Cn2ccnn2)CCCNC1
InChIInChI=1S/C8H14N4O/c13-8(2-1-3-9-6-8)7-12-5-4-10-11-12/h4-5,9,13H,1-3,6-7H2/t8-/m0/s1
InChIKeyZIWIZUNXJJKHPT-QMMMGPOBSA-N
XLogP-0.61
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 ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-3-ol dihydrochloride
CID 121552529
3-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-3-ol
CID 121552530
3-[(1H-1,2,3-triazol-1-yl)methyl]pyrrolidin-3-ol
CID 122156743
2-[3-hydroxy-3-(triazol-1-ylmethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 137841828
1-Methyl-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 177955261
1-Propan-2-yl-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 177955437
1-[[2-(Triazol-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 104096677
2-Methyl-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 104439223
1-[[3-(Triazol-1-yl)propylamino]methyl]cyclohexan-1-ol
CID 104439252
2-Methyl-3-[3-(triazol-1-yl)propylamino]butan-2-ol
CID 104443408
1-[[2-(Triazol-1-yl)ethylamino]methyl]cyclopentan-1-ol
CID 104444476
2-Methyl-4-[3-(triazol-1-yl)propylamino]butan-2-ol
CID 104444861

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol (CID 124707561) is (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol is O[C@@]1(Cn2ccnn2)CCCNC1.
What is the InChIKey of (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The InChIKey is ZIWIZUNXJJKHPT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N4O/c13-8(2-1-3-9-6-8)7-12-5-4-10-11-12/h4-5,9,13H,1-3,6-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol?
(3S)-3-(triazol-1-ylmethyl)piperidin-3-ol has a molecular weight of 182.23 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(triazol-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 124707561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).