ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate

C21H23F2NO3 — CID 20506316

IUPACethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO3/c1-2-26-21(25)24-13-11-19(12-14-24)27-20(15-3-7-17(22)8-4-15)16-5-9-18(23)10-6-16/h3-10,19-20H,2,11-14H2,1H3
InChIKeyNXNZOUDBPNGRMT-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.69
Rot. Bonds5

About ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate

ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate (PubChem CID 20506316) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate
PubChem CID20506316
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Nameethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO3/c1-2-26-21(25)24-13-11-19(12-14-24)27-20(15-3-7-17(22)8-4-15)16-5-9-18(23)10-6-16/h3-10,19-20H,2,11-14H2,1H3
InChIKeyNXNZOUDBPNGRMT-UHFFFAOYSA-N
XLogP4.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate (CID 20506316) is ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate?
The InChIKey is NXNZOUDBPNGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-2-26-21(25)24-13-11-19(12-14-24)27-20(15-3-7-17(22)8-4-15)16-5-9-18(23)10-6-16/h3-10,19-20H,2,11-14H2,1H3.
What are the key properties of ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate?
ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[bis(4-fluorophenyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 20506316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).