piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate

C22H27NO3 — CID 71696269

IUPACpiperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate
SMILES[2H]C([2H])(CC)OC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-2-17-25-22(18-9-5-3-6-10-18,19-11-7-4-8-12-19)21(24)26-20-13-15-23-16-14-20/h3-12,20,23H,2,13-17H2,1H3/i17D2
InChIKeyFMRVAGKPRZLTRG-FBCWWBABSA-N
MW355.47 g/mol
LogP3.65
Rot. Bonds7

About piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate

piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate (PubChem CID 71696269) has the molecular formula C22H27NO3 and a molecular weight of 355.47 g/mol. Its IUPAC name is piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate.

Molecular Properties

Compound Namepiperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate
PubChem CID71696269
Molecular FormulaC22H27NO3
Molecular Weight355.47 g/mol
Exact Mass355.21
IUPAC Namepiperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate
SMILES[2H]C([2H])(CC)OC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-2-17-25-22(18-9-5-3-6-10-18,19-11-7-4-8-12-19)21(24)26-20-13-15-23-16-14-20/h3-12,20,23H,2,13-17H2,1H3/i17D2
InChIKeyFMRVAGKPRZLTRG-FBCWWBABSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate?
The IUPAC name of piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate (CID 71696269) is piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate.
What is the SMILES notation for piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate?
The canonical SMILES for piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate is [2H]C([2H])(CC)OC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate?
The InChIKey is FMRVAGKPRZLTRG-FBCWWBABSA-N. The full InChI is InChI=1S/C22H27NO3/c1-2-17-25-22(18-9-5-3-6-10-18,19-11-7-4-8-12-19)21(24)26-20-13-15-23-16-14-20/h3-12,20,23H,2,13-17H2,1H3/i17D2.
What are the key properties of piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate?
piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate has a molecular weight of 355.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate is sourced from PubChem (CID 71696269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).