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

C23H29NO2 — CID 71300421

IUPAC2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate
SMILESCN1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3/t20-/m1/s1
InChIKeyFKFABDZLGKRECY-HXUWFJFHSA-N
MW351.49 g/mol
LogP4.62
Rot. Bonds5

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

2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate (PubChem CID 71300421) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate
PubChem CID71300421
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate
SMILESCN1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3/t20-/m1/s1
InChIKeyFKFABDZLGKRECY-HXUWFJFHSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-2,4-dimethylcyclohex-3-en-1-yl]propan-2-yl 2,2-diphenylacetate
CID 166940085
[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride
CID 24843488
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
2-methyl-2-[(2R)-1-methylpiperidin-2-yl]propanoic acid
CID 66887633
1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
CID 155052755
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
CID 67886001
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 123993971
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
tert-butyl 2-(4-methylphenyl)-2-phenylacetate
CID 142375777
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate?
The IUPAC name of 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate (CID 71300421) is 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate.
What is the SMILES notation for 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate?
The canonical SMILES for 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate is CN1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate?
The InChIKey is FKFABDZLGKRECY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate?
2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate has a molecular weight of 351.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate is sourced from PubChem (CID 71300421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).