1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one

C13H21N3O2 — CID 123381953

IUPAC1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(O)(c2nccn2C)CC1
InChIInChI=1S/C13H21N3O2/c1-3-4-11(17)16-8-5-13(18,6-9-16)12-14-7-10-15(12)2/h7,10,18H,3-6,8-9H2,1-2H3
InChIKeyQMIWZXXHOVQNEE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.03
Rot. Bonds3

About 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one

1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 123381953) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID123381953
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(O)(c2nccn2C)CC1
InChIInChI=1S/C13H21N3O2/c1-3-4-11(17)16-8-5-13(18,6-9-16)12-14-7-10-15(12)2/h7,10,18H,3-6,8-9H2,1-2H3
InChIKeyQMIWZXXHOVQNEE-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)azepan-1-yl]ethanone
CID 124952993
N-cyclohexyl-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide
CID 46958733
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71779949
1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 158037384
1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one
CID 131672176
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 56744644
1-ethyl-4-(1-propylimidazol-2-yl)piperidin-4-ol
CID 63975629
1-(4-amino-4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 130718845
1-[4-fluoro-4-[2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]butan-1-one
CID 159081913
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
6-(1-methylimidazol-2-yl)-1,4-dithiepan-6-ol
CID 125495336
3-[(1-methylimidazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 55024779

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one (CID 123381953) is 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(O)(c2nccn2C)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is QMIWZXXHOVQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-11(17)16-8-5-13(18,6-9-16)12-14-7-10-15(12)2/h7,10,18H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one?
1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 123381953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).