[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone

C21H26N2O2 — CID 126830095

IUPAC[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)17-6-8-18(9-7-17)20(24)23-13-10-21(25,11-14-23)15-19-5-3-4-12-22-19/h3-9,12,16,25H,10-11,13-15H2,1-2H3
InChIKeyWYEKKNWYAXENOR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.41
Rot. Bonds4

About [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 126830095) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID126830095
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)17-6-8-18(9-7-17)20(24)23-13-10-21(25,11-14-23)15-19-5-3-4-12-22-19/h3-9,12,16,25H,10-11,13-15H2,1-2H3
InChIKeyWYEKKNWYAXENOR-UHFFFAOYSA-N
XLogP3.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 144699588
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone
CID 89491845
1-(pyridin-2-ylmethyl)cyclobutan-1-ol
CID 79081302
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 126830095) is [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1.
What is the InChIKey of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is WYEKKNWYAXENOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)17-6-8-18(9-7-17)20(24)23-13-10-21(25,11-14-23)15-19-5-3-4-12-22-19/h3-9,12,16,25H,10-11,13-15H2,1-2H3.
What are the key properties of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 126830095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).