2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate

C22H27NO3 — CID 155076034

IUPAC2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
SMILESCC(C)(OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H27NO3/c1-21(2,17-13-15-23-16-14-17)26-20(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,23,25H,13-16H2,1-2H3
InChIKeyVMAAPFJVCAFVFE-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.24
Rot. Bonds5

About 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate

2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate (PubChem CID 155076034) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
PubChem CID155076034
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
SMILESCC(C)(OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H27NO3/c1-21(2,17-13-15-23-16-14-17)26-20(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,23,25H,13-16H2,1-2H3
InChIKeyVMAAPFJVCAFVFE-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
CID 155075940
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
CID 155075699
2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
CID 155075781
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
CID 155605413
2-piperidin-1-ium-4-ylpropan-2-yl 2-methyl-2-phenylpropanoate
CID 167315286
2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
CID 155605208
2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate (CID 155076034) is 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate is CC(C)(OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is VMAAPFJVCAFVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-21(2,17-13-15-23-16-14-17)26-20(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,23,25H,13-16H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate?
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 353.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 155076034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).