1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone

C11H17N3O2 — CID 80707191

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
SMILESCC1(O)CCN(C(=O)Cn2cccn2)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)3-7-13(8-4-11)10(15)9-14-6-2-5-12-14/h2,5-6,16H,3-4,7-9H2,1H3
InChIKeyLPOIHJDFKGHTGT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.26
Rot. Bonds2

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone (PubChem CID 80707191) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
PubChem CID80707191
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
SMILESCC1(O)CCN(C(=O)Cn2cccn2)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)3-7-13(8-4-11)10(15)9-14-6-2-5-12-14/h2,5-6,16H,3-4,7-9H2,1H3
InChIKeyLPOIHJDFKGHTGT-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124641160
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 55165297
2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81096183
N-[(3R,4S)-3-hydroxy-3-methyl-9-(2-pyrazol-1-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110125008
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 91922310
2-(3-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107403471

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone (CID 80707191) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone is CC1(O)CCN(C(=O)Cn2cccn2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone?
The InChIKey is LPOIHJDFKGHTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(16)3-7-13(8-4-11)10(15)9-14-6-2-5-12-14/h2,5-6,16H,3-4,7-9H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone has a molecular weight of 223.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 80707191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).