2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol

C11H20N4O2 — CID 115771128

IUPAC2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
SMILESCn1cnnc1CN1CCC(OCCO)CC1
InChIInChI=1S/C11H20N4O2/c1-14-9-12-13-11(14)8-15-4-2-10(3-5-15)17-7-6-16/h9-10,16H,2-8H2,1H3
InChIKeyFETMFKLLIKQQKB-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.21
Rot. Bonds5

About 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 115771128) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
PubChem CID115771128
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
SMILESCn1cnnc1CN1CCC(OCCO)CC1
InChIInChI=1S/C11H20N4O2/c1-14-9-12-13-11(14)8-15-4-2-10(3-5-15)17-7-6-16/h9-10,16H,2-8H2,1H3
InChIKeyFETMFKLLIKQQKB-UHFFFAOYSA-N
XLogP-0.21
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol (CID 115771128) is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol is Cn1cnnc1CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is FETMFKLLIKQQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14-9-12-13-11(14)8-15-4-2-10(3-5-15)17-7-6-16/h9-10,16H,2-8H2,1H3.
What are the key properties of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 240.31 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 115771128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).