piperidin-4-yl(2H-triazol-4-yl)methanol

C8H14N4O — CID 84732454

IUPACpiperidin-4-yl(2H-triazol-4-yl)methanol
SMILESOC(c1cn[nH]n1)C1CCNCC1
InChIInChI=1S/C8H14N4O/c13-8(7-5-10-12-11-7)6-1-3-9-4-2-6/h5-6,8-9,13H,1-4H2,(H,10,11,12)
InChIKeyBMCUWDBXGSEUNV-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.16
Rot. Bonds2

About piperidin-4-yl(2H-triazol-4-yl)methanol

piperidin-4-yl(2H-triazol-4-yl)methanol (PubChem CID 84732454) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is piperidin-4-yl(2H-triazol-4-yl)methanol.

Molecular Properties

Compound Namepiperidin-4-yl(2H-triazol-4-yl)methanol
PubChem CID84732454
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Namepiperidin-4-yl(2H-triazol-4-yl)methanol
SMILESOC(c1cn[nH]n1)C1CCNCC1
InChIInChI=1S/C8H14N4O/c13-8(7-5-10-12-11-7)6-1-3-9-4-2-6/h5-6,8-9,13H,1-4H2,(H,10,11,12)
InChIKeyBMCUWDBXGSEUNV-UHFFFAOYSA-N
XLogP-0.16
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl(2H-triazol-4-yl)methanol?
The IUPAC name of piperidin-4-yl(2H-triazol-4-yl)methanol (CID 84732454) is piperidin-4-yl(2H-triazol-4-yl)methanol.
What is the SMILES notation for piperidin-4-yl(2H-triazol-4-yl)methanol?
The canonical SMILES for piperidin-4-yl(2H-triazol-4-yl)methanol is OC(c1cn[nH]n1)C1CCNCC1.
What is the InChIKey of piperidin-4-yl(2H-triazol-4-yl)methanol?
The InChIKey is BMCUWDBXGSEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-8(7-5-10-12-11-7)6-1-3-9-4-2-6/h5-6,8-9,13H,1-4H2,(H,10,11,12).
What are the key properties of piperidin-4-yl(2H-triazol-4-yl)methanol?
piperidin-4-yl(2H-triazol-4-yl)methanol has a molecular weight of 182.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl(2H-triazol-4-yl)methanol is sourced from PubChem (CID 84732454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).