ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate

C21H24FNO3 — CID 10473528

IUPACethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FNO3/c1-2-25-21(24)23-14-12-19(13-15-23)26-20(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,19-20H,2,12-15H2,1H3
InChIKeyHGSZMGJQCXIGSJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.55
Rot. Bonds5

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

ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate (PubChem CID 10473528) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate
PubChem CID10473528
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Nameethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FNO3/c1-2-25-21(24)23-14-12-19(13-15-23)26-20(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,19-20H,2,12-15H2,1H3
InChIKeyHGSZMGJQCXIGSJ-UHFFFAOYSA-N
XLogP4.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate (CID 10473528) is ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(OC(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate?
The InChIKey is HGSZMGJQCXIGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-2-25-21(24)23-14-12-19(13-15-23)26-20(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,19-20H,2,12-15H2,1H3.
What are the key properties of ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate?
ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluorophenyl)-phenylmethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 10473528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).