(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate

C24H32NO3+ — CID 72793860

IUPAC(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
SMILESCCCOC(C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32NO3/c1-4-19-27-24(20-11-7-5-8-12-20,21-13-9-6-10-14-21)23(26)28-22-15-17-25(2,3)18-16-22/h5-14,22H,4,15-19H2,1-3H3/q+1
InChIKeyUOSMTHHNBVXIKL-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.14
Rot. Bonds7

About (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate

(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate (PubChem CID 72793860) has the molecular formula C24H32NO3+ and a molecular weight of 382.52 g/mol. Its IUPAC name is (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate.

Molecular Properties

Compound Name(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
PubChem CID72793860
Molecular FormulaC24H32NO3+
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
SMILESCCCOC(C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32NO3/c1-4-19-27-24(20-11-7-5-8-12-20,21-13-9-6-10-14-21)23(26)28-22-15-17-25(2,3)18-16-22/h5-14,22H,4,15-19H2,1-3H3/q+1
InChIKeyUOSMTHHNBVXIKL-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-oxidopiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
CID 10155959
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-diphenyl-2-(2-phenylmethoxyethoxy)acetate
CID 23336632
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2-(4-methylphenyl)-2-phenylacetate
CID 23336653
[(1S,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2,2-diphenyl-2-propoxyacetate
CID 98560663
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(furan-2-yl)-2-(3-hydroxypropoxy)-2-phenylacetate
CID 23336655
piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate
CID 71696269
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
CID 76965754
piperidin-4-yl 2,2-diphenyl-2-(1,1,2,2-tetradeuteriopropoxy)acetate
CID 71696334
piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate
CID 86344837
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-3-methyl-2-phenylhexanoate
CID 118232756
1,1-diphenyl-1-propoxypropan-2-one
CID 13040855
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;propanoate
CID 86293928

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate?
The IUPAC name of (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate (CID 72793860) is (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate.
What is the SMILES notation for (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate?
The canonical SMILES for (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate is CCCOC(C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate?
The InChIKey is UOSMTHHNBVXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32NO3/c1-4-19-27-24(20-11-7-5-8-12-20,21-13-9-6-10-14-21)23(26)28-22-15-17-25(2,3)18-16-22/h5-14,22H,4,15-19H2,1-3H3/q+1.
What are the key properties of (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate?
(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate has a molecular weight of 382.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate is sourced from PubChem (CID 72793860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).