[1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol

C11H20N4O — CID 66693570

IUPAC[1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol
SMILESCCc1nc(N2CCC(CO)CC2)n(C)n1
InChIInChI=1S/C11H20N4O/c1-3-10-12-11(14(2)13-10)15-6-4-9(8-16)5-7-15/h9,16H,3-8H2,1-2H3
InChIKeySPMSYCOJZMLAKY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.59
Rot. Bonds3

About [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol

[1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol (PubChem CID 66693570) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol
PubChem CID66693570
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol
SMILESCCc1nc(N2CCC(CO)CC2)n(C)n1
InChIInChI=1S/C11H20N4O/c1-3-10-12-11(14(2)13-10)15-6-4-9(8-16)5-7-15/h9,16H,3-8H2,1-2H3
InChIKeySPMSYCOJZMLAKY-UHFFFAOYSA-N
XLogP0.59
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol (CID 66693570) is [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol is CCc1nc(N2CCC(CO)CC2)n(C)n1.
What is the InChIKey of [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol?
The InChIKey is SPMSYCOJZMLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-10-12-11(14(2)13-10)15-6-4-9(8-16)5-7-15/h9,16H,3-8H2,1-2H3.
What are the key properties of [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol?
[1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 66693570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).