(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate

C23H29NO3 — CID 4942

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IUPAC(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate
SMILESCCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3
InChIKeyQPCVHQBVMYCJOM-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.99
Rot. Bonds7

About (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate

(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate (PubChem CID 4942) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate
PubChem CID4942
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate
SMILESCCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3
InChIKeyQPCVHQBVMYCJOM-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Alphaprodine
CID 120738
Mepenzolate
CID 4057
Pipenzolate
CID 4832
Mepenzolate Bromide
CID 6461
Fenbutrazate
CID 20395
1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
CID 60977
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-methyl-3-piperidinyl ester
CID 62495
1-Ethyl-3-piperidinyl alpha-hydroxy-alpha-phenylbenzeneacetate
CID 62504
1-Methyl-4-piperidyl benzilate
CID 77157
Dimenoxadol
CID 17036
Pargeverine
CID 17700
Pipenzolate Bromide
CID 657306

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate?
The IUPAC name of (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate (CID 4942) is (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate is CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate?
The InChIKey is QPCVHQBVMYCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate?
(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate has a molecular weight of 367.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate is sourced from PubChem (CID 4942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).