[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C16H19N3O2 — CID 43421347

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCCCC1CO
InChIInChI=1S/C16H19N3O2/c20-12-15-4-1-2-10-18(15)16(21)13-5-7-14(8-6-13)19-11-3-9-17-19/h3,5-9,11,15,20H,1-2,4,10,12H2
InChIKeyMFVKPCNZEHQRCS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.86
Rot. Bonds3

About [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 43421347) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID43421347
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCCCC1CO
InChIInChI=1S/C16H19N3O2/c20-12-15-4-1-2-10-18(15)16(21)13-5-7-14(8-6-13)19-11-3-9-17-19/h3,5-9,11,15,20H,1-2,4,10,12H2
InChIKeyMFVKPCNZEHQRCS-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609775
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 99698437
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 43421347) is [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is MFVKPCNZEHQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-12-15-4-1-2-10-18(15)16(21)13-5-7-14(8-6-13)19-11-3-9-17-19/h3,5-9,11,15,20H,1-2,4,10,12H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 43421347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).