[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate

C20H23NO2 — CID 769610

IUPAC[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
SMILESCN1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-21-14-8-13-18(15-21)23-20(22)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-/m1/s1
InChIKeyJOOITGNDMHFLJI-GOSISDBHSA-N
MW309.41 g/mol
LogP3.46
Rot. Bonds4

About [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate

[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate (PubChem CID 769610) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
PubChem CID769610
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
SMILESCN1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-21-14-8-13-18(15-21)23-20(22)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-/m1/s1
InChIKeyJOOITGNDMHFLJI-GOSISDBHSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate
CID 118541578
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
[(3R)-1-methylpiperidin-3-yl] 2-chlorobenzoate
CID 806606
[(3S)-1-methylpiperidin-3-yl] 2-methylbenzoate
CID 805331
(1-methylpiperidin-3-yl) 2-bromobenzoate
CID 4991215
ethane;(1-methylpyrrolidin-3-yl) 3-methyl-2-phenylhexanoate
CID 143465368
(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
CID 138400545
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
[(3S)-1-methylpyrrolidin-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 118135582
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118984357
(1-methylpiperidin-3-yl) (E)-2-cyano-3-phenylprop-2-enoate
CID 6289857

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate?
The IUPAC name of [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate (CID 769610) is [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate.
What is the SMILES notation for [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate?
The canonical SMILES for [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate is CN1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate?
The InChIKey is JOOITGNDMHFLJI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21-14-8-13-18(15-21)23-20(22)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate?
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate has a molecular weight of 309.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate is sourced from PubChem (CID 769610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).