[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C12H19N3O2 — CID 113238255

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H19N3O2/c1-9(16)10-3-5-15(6-4-10)12(17)11-7-13-14(2)8-11/h7-10,16H,3-6H2,1-2H3
InChIKeyWHDUGXMWHKIUJK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.65
Rot. Bonds2

About [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 113238255) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID113238255
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H19N3O2/c1-9(16)10-3-5-15(6-4-10)12(17)11-7-13-14(2)8-11/h7-10,16H,3-6H2,1-2H3
InChIKeyWHDUGXMWHKIUJK-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429744
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 111430040
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 95839704
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70743628
N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide
CID 155500318
[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 176873225
(2S)-2-cyclohexyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 94544640

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 113238255) is [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CC(O)C1CCN(C(=O)c2cnn(C)c2)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is WHDUGXMWHKIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(16)10-3-5-15(6-4-10)12(17)11-7-13-14(2)8-11/h7-10,16H,3-6H2,1-2H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 113238255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).