ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate

C22H26FNO2 — CID 91088408

IUPACethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(C(Cc2ccccc2)c2ccccc2F)CCNCC1
InChIInChI=1S/C22H26FNO2/c1-2-26-21(25)22(12-14-24-15-13-22)19(16-17-8-4-3-5-9-17)18-10-6-7-11-20(18)23/h3-11,19,24H,2,12-16H2,1H3
InChIKeyPTPMMSRNSZMETH-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.08
Rot. Bonds6

About ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate

ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate (PubChem CID 91088408) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate
PubChem CID91088408
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Nameethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(C(Cc2ccccc2)c2ccccc2F)CCNCC1
InChIInChI=1S/C22H26FNO2/c1-2-26-21(25)22(12-14-24-15-13-22)19(16-17-8-4-3-5-9-17)18-10-6-7-11-20(18)23/h3-11,19,24H,2,12-16H2,1H3
InChIKeyPTPMMSRNSZMETH-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate (CID 91088408) is ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate is CCOC(=O)C1(C(Cc2ccccc2)c2ccccc2F)CCNCC1.
What is the InChIKey of ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate?
The InChIKey is PTPMMSRNSZMETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-2-26-21(25)22(12-14-24-15-13-22)19(16-17-8-4-3-5-9-17)18-10-6-7-11-20(18)23/h3-11,19,24H,2,12-16H2,1H3.
What are the key properties of ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate?
ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate has a molecular weight of 355.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-fluorophenyl)-2-phenylethyl]piperidine-4-carboxylate is sourced from PubChem (CID 91088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).