ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate

C14H18BrNO3 — CID 84608470

IUPACethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO3/c1-2-18-14(17)16-9-7-13(8-10-16)19-12-5-3-11(15)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyFPIOONBVUHUNPL-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.45
Rot. Bonds3

About ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate

ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate (PubChem CID 84608470) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
PubChem CID84608470
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Nameethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO3/c1-2-18-14(17)16-9-7-13(8-10-16)19-12-5-3-11(15)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyFPIOONBVUHUNPL-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate (CID 84608470) is ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ccc(Br)cc2)CC1.
What is the InChIKey of ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate?
The InChIKey is FPIOONBVUHUNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-2-18-14(17)16-9-7-13(8-10-16)19-12-5-3-11(15)4-6-12/h3-6,13H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate?
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate has a molecular weight of 328.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 84608470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).