1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

C11H17N3O2 — CID 80706631

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cc2ccn[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)3-6-14(7-4-11)10(15)8-9-2-5-12-13-9/h2,5,16H,3-4,6-8H2,1H3,(H,12,13)
InChIKeyCCSHCKBOHOLTJW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.33
Rot. Bonds2

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (PubChem CID 80706631) 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-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
PubChem CID80706631
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cc2ccn[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)3-6-14(7-4-11)10(15)8-9-2-5-12-13-9/h2,5,16H,3-4,6-8H2,1H3,(H,12,13)
InChIKeyCCSHCKBOHOLTJW-UHFFFAOYSA-N
XLogP0.33
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 79139700
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 138379141
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
CID 102657225
2-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]piperidine-2-carboxylic acid
CID 104594818
1-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 154563682
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (CID 80706631) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is CC1(O)CCN(C(=O)Cc2ccn[nH]2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The InChIKey is CCSHCKBOHOLTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(16)3-6-14(7-4-11)10(15)8-9-2-5-12-13-9/h2,5,16H,3-4,6-8H2,1H3,(H,12,13).
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 80706631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).