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

C15H28N4O — CID 110009710

IUPAC[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
SMILESCCC1(CO)CCN(Cc2ncnn2CC(C)C)CC1
InChIInChI=1S/C15H28N4O/c1-4-15(11-20)5-7-18(8-6-15)10-14-16-12-17-19(14)9-13(2)3/h12-13,20H,4-11H2,1-3H3
InChIKeyXAOFZGWJXPYKNN-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.92
Rot. Bonds6

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

[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol (PubChem CID 110009710) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
PubChem CID110009710
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
SMILESCCC1(CO)CCN(Cc2ncnn2CC(C)C)CC1
InChIInChI=1S/C15H28N4O/c1-4-15(11-20)5-7-18(8-6-15)10-14-16-12-17-19(14)9-13(2)3/h12-13,20H,4-11H2,1-3H3
InChIKeyXAOFZGWJXPYKNN-UHFFFAOYSA-N
XLogP1.92
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
CID 115304991
3-amino-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324776
3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 110009097
[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 114082090
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115970091
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 129490205
2,2-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopentan-1-ol
CID 79862641
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine
CID 75507812
1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopropyl]ethanone
CID 106796910
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-6-oxopyridazine-3-carboxylic acid
CID 114696129
2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
CID 66023702

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol (CID 110009710) is [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol is CCC1(CO)CCN(Cc2ncnn2CC(C)C)CC1.
What is the InChIKey of [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is XAOFZGWJXPYKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-15(11-20)5-7-18(8-6-15)10-14-16-12-17-19(14)9-13(2)3/h12-13,20H,4-11H2,1-3H3.
What are the key properties of [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 280.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110009710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).