2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate

C22H27NO3 — CID 122194370

IUPAC2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
SMILESCOc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1
InChIInChI=1S/C22H27NO3/c1-23-15-13-22(14-16-23,19-6-4-3-5-7-19)21(24)26-17-12-18-8-10-20(25-2)11-9-18/h3-11H,12-17H2,1-2H3
InChIKeyOPURXCGDAMNMQI-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate

2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate (PubChem CID 122194370) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
PubChem CID122194370
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
SMILESCOc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1
InChIInChI=1S/C22H27NO3/c1-23-15-13-22(14-16-23,19-6-4-3-5-7-19)21(24)26-17-12-18-8-10-20(25-2)11-9-18/h3-11H,12-17H2,1-2H3
InChIKeyOPURXCGDAMNMQI-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate (CID 122194370) is 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate is COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is OPURXCGDAMNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-23-15-13-22(14-16-23,19-6-4-3-5-7-19)21(24)26-17-12-18-8-10-20(25-2)11-9-18/h3-11H,12-17H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 122194370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).