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

C13H24N4O — CID 114510267

IUPAC3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H24N4O/c1-4-11-8-14-6-5-13(11,18)7-12-15-9-16-17(12)10(2)3/h9-11,14,18H,4-8H2,1-3H3
InChIKeyVVDOGFANWZGHIR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds4

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

3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (PubChem CID 114510267) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
PubChem CID114510267
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H24N4O/c1-4-11-8-14-6-5-13(11,18)7-12-15-9-16-17(12)10(2)3/h9-11,14,18H,4-8H2,1-3H3
InChIKeyVVDOGFANWZGHIR-UHFFFAOYSA-N
XLogP1.15
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepane
CID 103983894
3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114510495
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol
CID 114638690
3-ethyl-4-(furan-3-ylmethyl)piperidin-4-ol
CID 114510379
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 66466460
3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823268
5-[[1-(chloromethyl)cyclobutyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66036230
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568448
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080410
5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 112571297
3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol
CID 114510452
3-ethyl-4-(2-methylpentyl)piperidin-4-ol
CID 114510431

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (CID 114510267) is 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is CCC1CNCCC1(O)Cc1ncnn1C(C)C.
What is the InChIKey of 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is VVDOGFANWZGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11-8-14-6-5-13(11,18)7-12-15-9-16-17(12)10(2)3/h9-11,14,18H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 252.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114510267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).