2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one

C22H27NO2 — CID 3731289

IUPAC2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(O)C(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27NO2/c1-16-6-10-18(11-7-16)20(23-14-4-3-5-15-23)22(25)21(24)19-12-8-17(2)9-13-19/h6-13,20,22,25H,3-5,14-15H2,1-2H3
InChIKeyQIAUEJSGCORVTR-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.07
Rot. Bonds5

About 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one

2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 3731289) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID3731289
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(O)C(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27NO2/c1-16-6-10-18(11-7-16)20(23-14-4-3-5-15-23)22(25)21(24)19-12-8-17(2)9-13-19/h6-13,20,22,25H,3-5,14-15H2,1-2H3
InChIKeyQIAUEJSGCORVTR-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (CID 3731289) is 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is Cc1ccc(C(=O)C(O)C(c2ccc(C)cc2)N2CCCCC2)cc1.
What is the InChIKey of 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is QIAUEJSGCORVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16-6-10-18(11-7-16)20(23-14-4-3-5-15-23)22(25)21(24)19-12-8-17(2)9-13-19/h6-13,20,22,25H,3-5,14-15H2,1-2H3.
What are the key properties of 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 337.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3731289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).