1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one

C13H22N4O2 — CID 46996486

IUPAC1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1
InChIInChI=1S/C13H22N4O2/c1-4-12(18)16-7-5-10(6-8-16)17-9-11(14-15-17)13(2,3)19/h9-10,19H,4-8H2,1-3H3
InChIKeyIEHBGNXCDGTYGT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.08
Rot. Bonds3

About 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one

1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 46996486) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID46996486
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1
InChIInChI=1S/C13H22N4O2/c1-4-12(18)16-7-5-10(6-8-16)17-9-11(14-15-17)13(2,3)19/h9-10,19H,4-8H2,1-3H3
InChIKeyIEHBGNXCDGTYGT-UHFFFAOYSA-N
XLogP1.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 4-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)piperidine-1-carboxylate
CID 71651175
1-[2-(4-{[4-(1-hydroxyethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)-2-oxoethyl]-2-pyrrolidinone
CID 45190554
1-{1-[(1-{[isopropyl(methyl)amino]acetyl}piperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}ethanol
CID 45231908
2-{1-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}propan-2-ol
CID 46988218
2-{1-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}propan-2-ol
CID 46992366
1-{1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}cyclopentanol
CID 46996060
(1,4-Dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone
CID 46999850
1-{1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}cyclopentanol
CID 50961086
2-[1-(1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}piperidin-4-yl)-1H-1,2,3-triazol-4-yl]propan-2-ol
CID 46983607
4-(4-(2-Hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl)-2,2,6,6-tetramethylpiperidin-1-ol
CID 146036207
2,2-Difluoro-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
CID 46985845
2-{1-[(1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}piperidin-3-yl)methyl]-1H-1,2,3-triazol-4-yl}propan-2-ol
CID 46986931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one (CID 46996486) is 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1.
What is the InChIKey of 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is IEHBGNXCDGTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-12(18)16-7-5-10(6-8-16)17-9-11(14-15-17)13(2,3)19/h9-10,19H,4-8H2,1-3H3.
What are the key properties of 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 266.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46996486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).