ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate

C16H21BrClNO2 — CID 66157879

IUPACethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1cc(Cl)ccc1Br)N1CCCCC1
InChIInChI=1S/C16H21BrClNO2/c1-2-21-16(20)11-15(19-8-4-3-5-9-19)13-10-12(18)6-7-14(13)17/h6-7,10,15H,2-5,8-9,11H2,1H3
InChIKeyOPEWEYJBJCKOQD-UHFFFAOYSA-N
MW374.71 g/mol
LogP4.58
Rot. Bonds5

About ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate

ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate (PubChem CID 66157879) has the molecular formula C16H21BrClNO2 and a molecular weight of 374.71 g/mol. Its IUPAC name is ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
PubChem CID66157879
Molecular FormulaC16H21BrClNO2
Molecular Weight374.71 g/mol
Exact Mass373.04
IUPAC Nameethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1cc(Cl)ccc1Br)N1CCCCC1
InChIInChI=1S/C16H21BrClNO2/c1-2-21-16(20)11-15(19-8-4-3-5-9-19)13-10-12(18)6-7-14(13)17/h6-7,10,15H,2-5,8-9,11H2,1H3
InChIKeyOPEWEYJBJCKOQD-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
ethyl 3-(4-bromo-5-chlorothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844870
ethyl 3-(azepan-1-yl)-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102844857
ethyl 3-(5-bromo-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64528994
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
ethyl 2-(2-bromo-5-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 66158234
ethyl 3-(4,5-dibromothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844868
ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
2-(2-bromo-5-chlorophenyl)-2-piperidin-1-ylacetic acid
CID 66157085
2-(azepan-1-yl)-2-(2-bromo-5-chlorophenyl)acetic acid
CID 66157283
ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64527619

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate (CID 66157879) is ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate is CCOC(=O)CC(c1cc(Cl)ccc1Br)N1CCCCC1.
What is the InChIKey of ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate?
The InChIKey is OPEWEYJBJCKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO2/c1-2-21-16(20)11-15(19-8-4-3-5-9-19)13-10-12(18)6-7-14(13)17/h6-7,10,15H,2-5,8-9,11H2,1H3.
What are the key properties of ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate?
ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate has a molecular weight of 374.71 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 66157879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).