ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate

C22H27NO2 — CID 3029031

IUPACethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-2-25-21(24)22(20-11-7-4-8-12-20)14-17-23(18-15-22)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3
InChIKeyIUNKCJPURQMGKG-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.83
Rot. Bonds6

About ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate

ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 3029031) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID3029031
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Nameethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-2-25-21(24)22(20-11-7-4-8-12-20)14-17-23(18-15-22)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3
InChIKeyIUNKCJPURQMGKG-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate (CID 3029031) is ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is IUNKCJPURQMGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-25-21(24)22(20-11-7-4-8-12-20)14-17-23(18-15-22)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3.
What are the key properties of ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 3029031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).