1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C19H25N3O2 — CID 70767388

IUPAC1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCC(C(O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-15-12-20-22(13-15)14-19(24)21-9-7-17(8-10-21)18(23)11-16-5-3-2-4-6-16/h2-6,12-13,17-18,23H,7-11,14H2,1H3
InChIKeyPCWFOVGBTFWJNF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.03
Rot. Bonds5

About 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 70767388) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID70767388
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCC(C(O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-15-12-20-22(13-15)14-19(24)21-9-7-17(8-10-21)18(23)11-16-5-3-2-4-6-16/h2-6,12-13,17-18,23H,7-11,14H2,1H3
InChIKeyPCWFOVGBTFWJNF-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]ethanone
CID 124754602
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 91842444
[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 96580621
4-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]butan-1-one
CID 96573982
(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 96572285
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 51901047
benzyl 2-(4-methylpyrazol-1-yl)acetate
CID 121256178
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527668
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 70767388) is 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CCC(C(O)Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is PCWFOVGBTFWJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-12-20-22(13-15)14-19(24)21-9-7-17(8-10-21)18(23)11-16-5-3-2-4-6-16/h2-6,12-13,17-18,23H,7-11,14H2,1H3.
What are the key properties of 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70767388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).