(1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate

C22H27NO3 — CID 17978

IUPAC(1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate
SMILESCOC(C(=O)OCC1CCCCN1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-23-16-10-9-15-20(23)17-26-21(24)22(25-2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20H,9-10,15-17H2,1-2H3
InChIKeyPIJQYMCYYIXSJW-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.60
Rot. Bonds6

About (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate

(1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate (PubChem CID 17978) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate
PubChem CID17978
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate
SMILESCOC(C(=O)OCC1CCCCN1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-23-16-10-9-15-20(23)17-26-21(24)22(25-2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20H,9-10,15-17H2,1-2H3
InChIKeyPIJQYMCYYIXSJW-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Mepenzolate
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Pipenzolate
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Piperidolate
CID 4839
Mepenzolate Bromide
CID 6461
Benactyzine Hydrochloride
CID 66448
Fenbutrazate
CID 20395
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-methyl-3-piperidinyl ester
CID 62495
1-Ethyl-3-piperidinyl alpha-hydroxy-alpha-phenylbenzeneacetate
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1-Methyl-4-piperidyl benzilate
CID 77157

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate (CID 17978) is (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate is COC(C(=O)OCC1CCCCN1C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate?
The InChIKey is PIJQYMCYYIXSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-23-16-10-9-15-20(23)17-26-21(24)22(25-2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20H,9-10,15-17H2,1-2H3.
What are the key properties of (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate?
(1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate has a molecular weight of 353.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate is sourced from PubChem (CID 17978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).