[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate

C22H27NO3 — CID 70907246

IUPAC[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
SMILESCN(C)C1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-23(2)19-13-15-20(16-14-19)26-21(24)22(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20,25H,13-16H2,1-2H3
InChIKeyYGMQVLHZIKXYSC-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.34
Rot. Bonds5

About [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate

[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 70907246) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID70907246
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
SMILESCN(C)C1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-23(2)19-13-15-20(16-14-19)26-21(24)22(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20,25H,13-16H2,1-2H3
InChIKeyYGMQVLHZIKXYSC-UHFFFAOYSA-N
XLogP3.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate with MolForge

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Related Compounds

(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride
CID 517443
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
CID 76965754
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
[(4R,5S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-diphenylacetate
CID 59113550
[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate
CID 146971372
[(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 134819841
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
[(1S,3R)-1-ethyl-1-methylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 76971740
[(1S,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 73415999
(1-methylpiperidin-4-yl) (2S)-2-(4-azidophenyl)-2-hydroxy-2-phenylacetate
CID 92855542
(4-phenylcyclohexyl) 2,2-difluoropropanoate
CID 58372434
[3-(oxolan-1-ium-1-yl)cycloheptyl] 2-hydroxy-2,2-diphenylacetate
CID 177225438

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate (CID 70907246) is [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate is CN(C)C1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is YGMQVLHZIKXYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-23(2)19-13-15-20(16-14-19)26-21(24)22(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20,25H,13-16H2,1-2H3.
What are the key properties of [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate?
[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 353.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 70907246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).