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

C11H20N4O — CID 112734344

IUPAC2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
SMILESCn1cnnc1CN1CCCC(CCO)C1
InChIInChI=1S/C11H20N4O/c1-14-9-12-13-11(14)8-15-5-2-3-10(7-15)4-6-16/h9-10,16H,2-8H2,1H3
InChIKeyROQRCQAQFOLRAW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.41
Rot. Bonds4

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

2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 112734344) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
PubChem CID112734344
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
SMILESCn1cnnc1CN1CCCC(CCO)C1
InChIInChI=1S/C11H20N4O/c1-14-9-12-13-11(14)8-15-5-2-3-10(7-15)4-6-16/h9-10,16H,2-8H2,1H3
InChIKeyROQRCQAQFOLRAW-UHFFFAOYSA-N
XLogP0.41
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 166606235
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356478
4-[(3R)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201831
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 112733969
3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163354526
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771128
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 128978577
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
CID 62356299
2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]ethanol
CID 107228739
2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 107228743

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol (CID 112734344) is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol is Cn1cnnc1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is ROQRCQAQFOLRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-9-12-13-11(14)8-15-5-2-3-10(7-15)4-6-16/h9-10,16H,2-8H2,1H3.
What are the key properties of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 224.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 112734344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).