ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate

C15H20BrNO2 — CID 97355525

IUPACethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)[C@H](c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C15H20BrNO2/c1-2-19-15(18)14(17-10-6-3-7-11-17)12-8-4-5-9-13(12)16/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3/t14-/m0/s1
InChIKeyYEPHONYFZKLGLZ-AWEZNQCLSA-N
MW326.23 g/mol
LogP3.54
Rot. Bonds4

About ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate

ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate (PubChem CID 97355525) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
PubChem CID97355525
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Nameethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)[C@H](c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C15H20BrNO2/c1-2-19-15(18)14(17-10-6-3-7-11-17)12-8-4-5-9-13(12)16/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3/t14-/m0/s1
InChIKeyYEPHONYFZKLGLZ-AWEZNQCLSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
ethyl 2-(2-bromo-5-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 66158234
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
CID 66157879
[(2S)-butan-2-yl] (2R)-2-(2-chlorophenyl)-2-piperidin-1-ylacetate
CID 97355442
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl (3S)-3-amino-3-(2-bromophenyl)-2-fluoropropanoate;hydrochloride
CID 171245544

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate?
The IUPAC name of ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate (CID 97355525) is ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate is CCOC(=O)[C@H](c1ccccc1Br)N1CCCCC1.
What is the InChIKey of ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate?
The InChIKey is YEPHONYFZKLGLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-19-15(18)14(17-10-6-3-7-11-17)12-8-4-5-9-13(12)16/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3/t14-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate?
ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate has a molecular weight of 326.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 97355525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).