1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol

C9H16N4O — CID 82399476

IUPAC1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol
SMILESCC(c1cn[nH]n1)N1CCC(O)CC1
InChIInChI=1S/C9H16N4O/c1-7(9-6-10-12-11-9)13-4-2-8(14)3-5-13/h6-8,14H,2-5H2,1H3,(H,10,11,12)
InChIKeyDWSYMKFIWIAXPY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.32
Rot. Bonds2

About 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol

1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol (PubChem CID 82399476) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol
PubChem CID82399476
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol
SMILESCC(c1cn[nH]n1)N1CCC(O)CC1
InChIInChI=1S/C9H16N4O/c1-7(9-6-10-12-11-9)13-4-2-8(14)3-5-13/h6-8,14H,2-5H2,1H3,(H,10,11,12)
InChIKeyDWSYMKFIWIAXPY-UHFFFAOYSA-N
XLogP0.32
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2H-triazol-4-yl)propyl]morpholine
CID 54240919
1-[1-(2H-triazol-4-yl)ethyl]piperidine
CID 57222232
1-(2H-triazol-4-ylmethyl)piperidin-4-ol
CID 130916286
4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine
CID 163222633
1-[(1-Methyltriazol-4-yl)methyl]piperidin-4-ol
CID 103866918
1-[(2-Methyltriazol-4-yl)methyl]piperidin-4-ol
CID 130588230
1-({1-[2-(dimethylamino)ethyl]-1H-1,2,3-triazol-4-yl}methyl)piperidin-4-ol
CID 165452635
trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol
CID 167912906

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol (CID 82399476) is 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol is CC(c1cn[nH]n1)N1CCC(O)CC1.
What is the InChIKey of 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol?
The InChIKey is DWSYMKFIWIAXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(9-6-10-12-11-9)13-4-2-8(14)3-5-13/h6-8,14H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol?
1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol has a molecular weight of 196.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2H-triazol-4-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 82399476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).