[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone

C21H22N4O2 — CID 16672649

IUPAC[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1ccccc1C1(O)CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-6-2-3-7-16(15)21(27)9-12-25(13-10-21)20(26)19-14-18(23-24-19)17-8-4-5-11-22-17/h2-8,11,14,27H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyHVWMKGNZFXZIKC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.90
Rot. Bonds3

About [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone

[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone (PubChem CID 16672649) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
PubChem CID16672649
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1ccccc1C1(O)CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-6-2-3-7-16(15)21(27)9-12-25(13-10-21)20(26)19-14-18(23-24-19)17-8-4-5-11-22-17/h2-8,11,14,27H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyHVWMKGNZFXZIKC-UHFFFAOYSA-N
XLogP2.90
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone (CID 16672649) is [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone is Cc1ccccc1C1(O)CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1.
What is the InChIKey of [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is HVWMKGNZFXZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-2-3-7-16(15)21(27)9-12-25(13-10-21)20(26)19-14-18(23-24-19)17-8-4-5-11-22-17/h2-8,11,14,27H,9-10,12-13H2,1H3,(H,23,24).
What are the key properties of [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 16672649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).