ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate

C16H22BrNO2 — CID 64539908

IUPACethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C16H22BrNO2/c1-2-20-16(19)12-15(18-10-6-3-7-11-18)13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKeyFPXUCKCZJIILMH-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.93
Rot. Bonds5

About ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate

ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate (PubChem CID 64539908) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
PubChem CID64539908
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Nameethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C16H22BrNO2/c1-2-20-16(19)12-15(18-10-6-3-7-11-18)13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKeyFPXUCKCZJIILMH-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64527619
ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
CID 66157879
ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
CID 97355525
ethyl 3-(5-bromo-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64528994
ethyl 3-(4,5-dibromothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844868
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
ethyl 3-(azepan-1-yl)-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102844857
ethyl 3-(4-bromo-5-chlorothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844870
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
ethyl 4-(2-bromophenyl)-3,4-dihydroxybutanoate
CID 171898431

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate (CID 64539908) is ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate is CCOC(=O)CC(c1ccccc1Br)N1CCCCC1.
What is the InChIKey of ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate?
The InChIKey is FPXUCKCZJIILMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-20-16(19)12-15(18-10-6-3-7-11-18)13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3.
What are the key properties of ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate?
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate has a molecular weight of 340.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 64539908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).