1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol

C11H20N4O — CID 114502580

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
SMILESCCn1ncnc1CN1CCC(O)C(C)C1
InChIInChI=1S/C11H20N4O/c1-3-15-11(12-8-13-15)7-14-5-4-10(16)9(2)6-14/h8-10,16H,3-7H2,1-2H3
InChIKeyFCXLNWQXKPMZNP-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.50
Rot. Bonds3

About 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114502580) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114502580
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
SMILESCCn1ncnc1CN1CCC(O)C(C)C1
InChIInChI=1S/C11H20N4O/c1-3-15-11(12-8-13-15)7-14-5-4-10(16)9(2)6-14/h8-10,16H,3-7H2,1-2H3
InChIKeyFCXLNWQXKPMZNP-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 99949289
1-[[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 99929588
4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 103898506
1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol
CID 114502633
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 99957532
3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79735044
(4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylazepane
CID 99838451
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 77093819

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol (CID 114502580) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol is CCn1ncnc1CN1CCC(O)C(C)C1.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is FCXLNWQXKPMZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-11(12-8-13-15)7-14-5-4-10(16)9(2)6-14/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol?
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 224.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114502580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).