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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Related Compounds

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 112733969
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875829
2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 50963524
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
CID 112734344
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 166606235
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 110913167
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
CID 82691745
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771137
[4-methoxy-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72929364

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).